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yyd7777777鐵蟲(chóng) (小有名氣)
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[求助]
微譜數(shù)據(jù)求助——三個(gè)化合物 謝謝！
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化合物1 溶劑MeOD 20.51,21.24,31.90,46.23,51.83,52.30,58.74,120.89,121.75,122.65,126.13,127.17,127.79,127.88,128.05,128.08,130.22,135.74,150.27,160.45,162.47,165.50 化合物2 溶劑MeOD 18.10,31.14,32.56,45.61,64.37,80.86,121.93,127.19,128.12,128.13,135.70,150.55,153.99,160.44,162.63 化合物3 溶劑MeOD 20.12,32.30,46.70,49.80,50.20,59.43,119.37,121.47,123.95,125.13,126.67,127.17,127.86,128,130.47,135.88,144.71,150.10,160.80,162.24,165.11 |
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wangkaibo123
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按從小到大順序輸入，數(shù)字間用英文半角逗號(hào)(,)分隔例如： 21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2 溶劑選項(xiàng)： 匹配容差： (數(shù)字格式，可自行設(shè)定) 相似度： %(相似度>=50%) 查詢(xún)結(jié)果：共查到86個(gè)化合物(查詢(xún)結(jié)果僅供參考) 1 . 1-Methyl-3-(benzyl)-1H,3H-quinazoline-2,4-dione 相似度:60% Molecules 2009 14 1860-1868 Alkylation of 2, 4-(1H, 3H)-Quinazolinediones with Dialkyl Carbonates Under Microwave Irradiations Ignacio Alfredo Rivero, Leticia Guerrero, Karla Alejandra Espinoza, Martha Cecilia Meza and Jesús Ramón Rodríguez Structure 13C NMR 碳譜模擬圖 2 . 1-phenyl-6-pyridin-4-ylpiperidin-2-one C16H16N2O 相似度:60% Heterocycles 2004 63 1027-1044 Palladium-catalyzed Cyclocarbonylation of Unsaturated Alcohols and Amines. Chemoselective Synthesis of Heterocycle-substituted γ- and δ-Lactones and Lactams Catia Granito, Luigino Troisi,* and Ludovico Ronzini Structure 13C NMR 碳譜模擬圖 3 . 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A new convenient method for the N-alkylation of highly insoluble cyclic amides GáBor Berecz and JóZsef Reiter Structure 13C NMR 碳譜模擬圖 17 . compound 3g 相似度:53.3% Journal of Heterocyclic Chemistry 2000 37 675-680 A convenient preparation of 1,3-disubstituted dihydro-2,4-(1H,3H)pyrimidinediones L. M. Deck and E. P. Papadopoulos Structure 13C NMR 碳譜模擬圖 18 . compound 3h 相似度:53.3% Journal of Heterocyclic Chemistry 2000 37 675-680 A convenient preparation of 1,3-disubstituted dihydro-2,4-(1H,3H)pyrimidinediones L. M. Deck and E. P. Papadopoulos Structure 13C NMR 碳譜模擬圖 |
4樓2013-07-10 11:33:09
wangkaibo123
榮譽(yù)版主 (職業(yè)作家)
kerry
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專(zhuān)家經(jīng)驗(yàn): +726 - PhEPI: 3
- 應(yīng)助: 1928 (講師)
- 貴賓: 0.598
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- 散金: 10156
- 紅花: 100
- 帖子: 3780
- 在線: 1007.1小時(shí)
- 蟲(chóng)號(hào): 2088618
- 注冊(cè): 2012-10-26
- 性別: GG
- 專(zhuān)業(yè): 抗腫瘤藥物藥理
- 管轄: 藥學(xué)
【答案】應(yīng)助回帖
感謝參與，應(yīng)助指數(shù) +1
|
第一個(gè) 按從小到大順序輸入，數(shù)字間用英文半角逗號(hào)(,)分隔例如： 21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2 溶劑選項(xiàng)： 匹配容差： (數(shù)字格式，可自行設(shè)定) 相似度： %(相似度>=50%) 查詢(xún)結(jié)果：共查到951個(gè)化合物(查詢(xún)結(jié)果僅供參考) 1 . dipegine C22H20N4O 相似度:77.2% Chemistry of Natural Compounds 2000 36 602-605 ALKALOIDS OF Peganum harmala M. F. Faskhutdinov, M. V. Telezhenetskaya,M. G. Levkovich, and N. D. Abdullaev Structure 13C NMR 碳譜模擬圖 2 . acetic acid 2-(4-acetoxy-phenyl)-3-phenyl-chroman-4-yl ester 相似度:63.6% Bioorganic & Medicinal Chemistry 2009 17 6832-6840 Synthesis and biological evaluation of 2,3,4-triarylbenzopyran derivatives as SERM and therapeutic agent for breast cancer Shailesh Kumar, Shreekant Deshpande, Vishal Chandra, Shakti Kitchlu, Anila Dwivedi, Vadithe Lakshma Nayak, Rituraj Konwar, Yenamandra S. Prabhakar, Devi Prasad Sahu Structure 13C NMR 碳譜模擬圖 3 . 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(Z)-3-(2,3-dihydro-2-phenylbenzo[1,4]thiazepin-4(5H)-ylidene)chroman-2-one C24H19NO2S 相似度:59.0% Journal of Heterocyclic Chemistry 2007 44 1453-1458 Synthesis of benzo[1,4]thiazepines by the reaction of 3-aryl-1-(3-coumarinyl)propen-1-ones with 2-aminothiophenol Albert Lévai,József Jekő,Tímea Gondos,András Simon and Gábor Tóth Structure 13C NMR 碳譜模擬圖 10 . dimethyl(2-{[(1-methyl-1H-dibenzo[2,3:6,7]oxepino[4,5-d]imidazol-2-yl)methyl]oxy}ethyl)amine C21H23N3O2 相似度:59.0% Journal of Heterocyclic Chemistry 2010 47 640-656 Novel tetracyclic imidazole derivatives: Synthesis, dynamic NMR study, and anti-inflammatory evaluation Renata Rupčić, Marina Modrić, Antun Hutinec, Ana Čikoš, Barbara Stanić, Milan Mesić, Dijana Pešić and Mladen Merćep Structure 13C NMR 碳譜模擬圖 11 . Compound 9a 相似度:59.0% Bioorganic & Medicinal Chemistry Letters 2000 10 171-174 The use of power ultrasound coupled with magnetic separation for the solid phase synthesis of compound libraries J. Manuel Perez, Eric J. Wilhelm, Irving Sucholeiki Structure 13C NMR 碳譜模擬圖 12 . Isopropyl 4-(1-benzyl-1H-indazol-3-yl)benzoate C24H22N2O2 相似度:59.0% Bioorganic & Medicinal Chemistry 2008 16 1262-1278 Synthesis and antiplatelet activity of ethyl 4-(1-benzyl-1H-indazol-3-yl)benzoate (YD-3) derivatives Hua-Sin Chen, Sheng-Chu Kuo, Che-Ming Teng, Fang-Yu Lee, Jih-Pyang Wang, Yu-Chun Lee, Chiung-Wen Kuo, Ching-Che Huang, Chin-Chung Wu, Li-Jiau Huang Structure 13C NMR 碳譜模擬圖 13 . Compound 9 相似度:59.0% Magnetic Resonance in Chemistry 2002 40 461-466 1H and 13C NMR assignments of new oligo-bipyridine–phenanthroline hybrids as potential precursors of helicate complexes Rita Annunziata, Maurizio Benaglia and Alberto Bologna Structure 13C NMR 碳譜模擬圖 14 . 2-[2,4-Dihydro-4-(4-methylphenyl)-3-phenyl-1,2,4-triazol-5-ylidene]indane-1,3-dione C24H17N3O2 相似度:59.0% Zeitschrift für Naturforschung B 2006 61 1239-1242 Amidrazones in the Synthesis of 1H-1,2,4-Triazoles A. A. Aly, M. A.-M. Gomaa, A. M. NourEl-Din, and M. S. Fahmi Structure 13C NMR 碳譜模擬圖 15 . 2-[4-(4-Chlorophenyl)-2,4-dihydro-3-phenyl-1,2,4-triazol-5-ylidene]indane-1,3-dione C23H14ClN3O2 相似度:59.0% Zeitschrift für Naturforschung B 2006 61 1239-1242 Amidrazones in the Synthesis of 1H-1,2,4-Triazoles A. A. Aly, M. A.-M. Gomaa, A. M. NourEl-Din, and M. S. Fahmi Structure 13C NMR 碳譜模擬圖 16 . 2-[2,4-Dihydro-4-(3-methylphenyl)-3-phenyl-1,2,4-triazol-5-ylidene]indane-1,3-dione C24H17N3O2 相似度:59.0% Zeitschrift für Naturforschung B 2006 61 1239-1242 Amidrazones in the Synthesis of 1H-1,2,4-Triazoles A. A. Aly, M. A.-M. Gomaa, A. M. NourEl-Din, and M. S. Fahmi Structure 13C NMR 碳譜模擬圖 17 . Ethyl 1-Benzyl-2-p-tolyl-1H-indole-3-carboxylate C25H23NO2 相似度:59.0% European Journal of Organic Chemistry 2012 2549-2559 A General Synthesis of Indole-3-carboxylic Esters by Palladium-Catalyzed Direct Oxidative Carbonylation of 2-Alkynylaniline Derivatives Bartolo Gabriele, Lucia Veltri, Raffaella Mancuso, Giuseppe Salerno and Mirco Costa Structure 13C NMR 碳譜模擬圖 18 . (R,S)-N-[2-benzoyl-4-(N',N'-diisopropylureido)phenyl]-2-(4-methylpiperazin-1-yl)-2-phenylacetamide 相似度:59.0% Bioorganic & Medicinal Chemistry 2009 17 7690-7697 Antimalarial and antitrypanosomal activity of a series of amide and sulfonamide derivatives of a 2,5-diaminobenzophenone Mirko Altenkämper, Benjamin Bechem, Johann Perruchon, Swetlana Heinrich, Andrea Mädel, Regina Ortmann, Hans-Martin Dahse, Ellen Freunscht, Yulin Wang, Jennifer Rath, August Stich, Manuela Hitzler, Peter Chiba, Michael Lanzer, Martin Schlitzer Structure 13C NMR 碳譜模擬圖 19 . (3R,4R)-3-{[(1S,3R,4R,6R)-4-bromo-3,7,7-trimethylbicyclo[4.1.0]hept-3-yl]oxy}-1-(chrysen-6-yl)-4-phenylazetidin-2-one 相似度:59.0% Helvetica Chimica Acta 2011 94 2188-2193 An Efficient Synthesis of Optically Active trans-(3R,4R)-3-Acetoxy-4-aryl-1-(chrysen-6-yl)azetidin-2-ones Using (+)-Car-3-ene as a Chiral Auxiliary (pages 2188–2193) Aarif L. Shaikh, Orlando Esparza and Bimal K. Banik Structure 13C NMR 碳譜模擬圖 20 . (E)-N-benzyl-3-phenyl-1-(pyridin-2-yl)prop-2-en-1-amine C21H20N2 相似度:59.0% Heterocycles 2012 85 1655-1669 Studies on the Petasis Reaction of 2-Pyridinecarbaldehyde Derivatives and Its Products Hiroki Mandai,* Kyouta Murota, and Seiji Suga Structure 13C NMR 碳譜模擬圖 21 . 10-methyl-6-(4-methylphenyl)-6,7-dihydro-4H-indolo[3,4-cd][1]benzazepine C23H20N2 相似度:59.0% European Journal of Organic Chemistry 2010 5108-5117 Water-Accelerated Cationic π-(7-endo) Cyclisation: Application to Indole-Based Peri-Annulated Polyheterocycles Mohammad Saifuddin, Piyush K. Agarwal, Sudhir K. Sharma, Anil K. Mandadapu, Sahaj Gupta, Vimal K. Harit and Bijoy Kundu Structure 13C NMR 碳譜模擬圖 22 . 8-methyl-12-phenyl-5,6-dihydro-4bH-isoquino[2,1-a]quinazolin-6-one C23H20N2O 相似度:59.0% European Journal of Organic Chemistry 2010 1999-2007 Facile Assembly of Fused Isoquinolines by Gold(I)-Catalyzed Coupling–Cyclization Reactions between o-Alkynylbenzaldehydes and Aromatic Amines Containing Tethered Nucleophiles Nitin T. Patil, Anil Kumar Mutyala, Pediredla G. V. V. Lakshmi, Penmatcha V. K. Raju and Balasubramanian Sridhar Structure 13C NMR 碳譜模擬圖 |
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yyd7777777: 金幣+20, ★★★★★最佳答案 2013-07-10 11:49:46
yyd7777777: 金幣+20, ★★★★★最佳答案 2013-07-10 11:49:46
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按從小到大順序輸入，數(shù)字間用英文半角逗號(hào)(,)分隔例如： 21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2 溶劑選項(xiàng)： 匹配容差： (數(shù)字格式，可自行設(shè)定) 相似度： %(相似度>=50%) 查詢(xún)結(jié)果：共查到672個(gè)化合物(查詢(xún)結(jié)果僅供參考) 1 . dipegine C22H20N4O 相似度:63.6% Chemistry of Natural Compounds 2000 36 602-605 ALKALOIDS OF Peganum harmala M. F. Faskhutdinov, M. V. Telezhenetskaya,M. G. Levkovich, and N. D. Abdullaev Structure 13C NMR 碳譜模擬圖 2 . N-Benzyl-N-isopropyl-N-(1-[5-[(E)-1-methyl-2-phenyl-1-ethenyl]-1,3,4-oxadiazol-2-yl]ethyl)amine C23H27N3O 相似度:61.9% Zeitschrift für Naturforschung B 2011 66 184-190 Four-component Synthesis of 1,3,4-Oxadiazole Derivatives from (N-Isocyanimino)triphenylphosphorane, (E)-Cinnamic Acids, Acetaldehyde and Secondary Amines A. Ramazani, Y. Ahmadi, and F. Z. Nasrabadi Structure 13C NMR 碳譜模擬圖 3 . N-{4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl}-4-nitrobenzamide C24H23N3O3 相似度:61.9% Bioorganic & Medicinal Chemistry 2009 17 2524-2535 Synthesis and biological evaluation of a small molecule library of 3rd generation multidrug resistance modulators Werner Klinkhammer, Henrik Müller, Christoph Globisch, Ilza K. Pajeva, Michael Wiese Structure 13C NMR 碳譜模擬圖 4 . 4-amino-N-{4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl] phenyl}benzamide C24H25N3O 相似度:61.9% Bioorganic & Medicinal Chemistry 2009 17 2524-2535 Synthesis and biological evaluation of a small molecule library of 3rd generation multidrug resistance modulators Werner Klinkhammer, Henrik Müller, Christoph Globisch, Ilza K. Pajeva, Michael Wiese Structure 13C NMR 碳譜模擬圖 5 . 2-[4-(benzyloxy)phenyl]-3-(methoxycarbonyl)-4H-benzopyran-4-one C24H18O5 相似度:61.9% Journal of Medicinal Chemistry 1991 34 798-806 Synthesis and protein-tyrosine kinase inhibitory activities of flavonoid analogs Mark Cushman, Dhanapalan Nagarathnam, Debra L. Burg, Robert L. Geahlen Structure 13C NMR 碳譜模擬圖 6 . N-(2-pyridinylmethyl)-10,5-(iminomethano)-10,11-dihydro-5H-dibenzo[a,d]cycloheptene C22H20N2 相似度:61.9% Journal of Medicinal Chemistry 1993 36 1938-1946 10,5-(Iminomethano)-10,11-dihydro-5H-dibenzo[a,d]cycloheptene and derivatives. Potent PCP receptor ligands Kyle R. Gee, Peter Barmettler, Michael R. Rhodes, Robert N. McBurney, N. Laxma Reddy, Lain Yen Hu, Ronald E. Cotter, Philip N. Hamilton, Eckard Weber, John F. W. Keana Structure 13C NMR 碳譜模擬圖 7 . 4'-[4-(1-Benzyl-2-ethyl-4-nitro-1H-imidazol-5-yl)piperazin-1-yl]-3-chloro-[1,1'-biphenyl]-4-ol C28H28ClN5O3 相似度:61.9% Zeitschrift für Naturforschung B 2012 67 925-934 Nitroimidazoles Part 8. Synthesis and Anti-HIV Activity of New 4-Nitroimidazole Derivatives Using the Suzuki Cross-Coupling Reaction Yaseen A. Al-Soud, Najim A. Al-Masoudi, Hossam H. Al-Suod, and Christophe Pannecouque Structure 13C NMR 碳譜模擬圖 8 . dipeginol C22H20N4O2 相似度:59.0% Chemistry of Natural Compounds 2000 36 602-605 ALKALOIDS OF Peganum harmala M. F. Faskhutdinov, M. V. Telezhenetskaya,M. G. Levkovich, and N. D. Abdullaev Structure 13C NMR 碳譜模擬圖 9 . compound 4b C22H13O6N3 相似度:59.0% Indian Journal of Chemistry 2005 44B 1465-1469 Synthesis and screening of 1,3,4-oxadiazinoindolinone and s-triazole derivatives of pyranobenzopyran Mulwad,V V; Chaskar,A C; Shirodkar,J M Structure 13C NMR 碳譜模擬圖 10 . 6-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-(4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy)-3-chlorophenyl)-1H-indole C26H22N5OCl 相似度:59.0% Heterocycles 2009 79 487-520 Synthesis and Biological Evaluation of Inhibitors of Botulinum Neurotoxin Metalloprotease Chenbo Wang, Julia Widom, Filip Petronijevic, James C. Burnett, Jonathan E. Nuss, Sina Bavari, Rick Gussio, and Peter Wipf Structure 13C NMR 碳譜模擬圖 11 . 8-[(2,5-dichloroisonicotinoyl)amino]-1-(4-fluoro-phenyl)-4,5-dihydro-1H-benzo-[g]indazole-3-carboxamide C24H16Cl2FN5O2 相似度:59.0% Bioorganic & Medicinal Chemistry 2010 18 403-414 Aminopyridinecarboxamide-based inhibitors: Structure–activity relationship Dominique F. Bonafoux, Sheri L. Bonar, Michael Clare, Ann M. Donnelly, Jeanette L. Glaenzer, Julia A. Guzova, He Huang, Nandidni N. Kishore, Francis J. Koszyk, Patrick J. Lennon, Adam Libby, Sumathy Mathialagan, David S. Oburn, Sharon A Rouw, Cynthia D. S Structure 13C NMR 碳譜模擬圖 12 . 2-(5-tert-butyl-2-(tert-butyldiphenylsilyloxy)benzyl)-4-tert-butylphenol C37H46O2Si 相似度:59.0% Tetrahedron 2012 68 10030-10039 Synthetic approaches to mixed ligand chelators on tert-butylphenol–formaldehyde oligomer (PFO) platforms Jennifer A. Young, Sukhen Karmakar, Hollie K. Jacobs, Aravamudan S. Gopalan Structure 13C NMR 碳譜模擬圖 13 . 2-(4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)butyl)-1,3(2H,4H)-isoquinolinedione hydrochloride hydrate C24H26N4O2S 相似度:59.0% Journal of Medicinal Chemistry 1994 37 2552-2563 Cyclic Benzamides as Mixed Dopamine D2/Serotonin 5-HT2 Receptor Antagonists: Potential Atypical Antipsychotic Agents Mark H. Norman, Greg C. Rigdon, Frank Navas III, Barrett R. Cooper Structure 13C NMR 碳譜模擬圖 14 . 3,5-bis(4-methoxybenzyl)-2-phenyl-3H-imidazo[4,5-c]quinolin-5-ium C32H28N3O2 相似度:57.6% Bioorganic & Medicinal Chemistry 2011 19 3801-3811 Preliminary evaluation of a 3H imidazoquinoline library as dual TLR7/TLR8 antagonists Nikunj M. Shukla, Subbalakshmi S. Malladi, Victor Day, Sunil A. David Structure 13C NMR 碳譜模擬圖 15 . trigonostemonine E C21H17N3O 相似度:57.1% Planta Medica 2009 75 1157-1161 Carboline Alkaloids from Trigonostemon lii Xu-Jia Hu, Ying-Tong Di, Yue-HuWang, Ling-Yi Kong, Suo Gao, Chun-Shun Li, Hai-Yang Liu, Hong-Ping He,Jian Ding, Hua Xie, Xiao-Jiang Hao Structure 13C NMR 碳譜模擬圖 16 . compound 7 相似度:57.1% Chinese Chemical Letters 2008 19 29-22 Synthesis andin vitro cytotoxicity of novel 1,4-disubstituted phthalazines Xin Zhai，Juan L i, Le I H e,Su Z heng，YaoB inZ hang，PingG ong Structure 13C NMR 碳譜模擬圖 17 . 1,3-Bis[o-(N-methylidenamino-3-p-tolyl-5-phenyl-4H-1,2,4-triazole-4-yl)-phenoxy]propane C47H40N8O2 相似度:57.1% Molecules 2006 11 469-477 Synthesis of New Bis-1, 2, 4-Triazole Derivatives Olcay Bekircan and Hakan Bektas Structure 13C NMR 碳譜模擬圖 18 . α-N-Fmoc-(αS)-β-(6'-Hydroxy-2'-naphthoyl)alanine C29H23NO6 相似度:57.1% Molecules 2007 12 1170-1182 Stereoselective Syntheses of Fluorescent Non-Natural Aromatic Amino Acids Based on Asymmetric Michael Additions Heru Chen, Xianbin Zhong and Jin Wei Structure 13C NMR 碳譜模擬圖 19 . 6a,7-dehydro-1,2-di-methoxy-7-hydroxy-N-methylaporphine 相似度:57.1% Fitoterapia 1999 70 157-160 Aporphine alkaloids from Enantia chlorantha Pascal Wafo, Barthelemy Nyasse, Catherine Fontaine,Beibam L. Sondengam Structure 13C NMR 碳譜模擬圖 20 . 4-amino-2-(quinolin-2-yl)quinazoline 相似度:57.1% Journal of Heterocyclic Chemistry 2009 46 1425-1429 An efficient method to prepare 4-aminoquinazolines: Potential application to conformation-restricted bleomycin analogs Zhonglin Wei,Lianyou Zheng,Qun Dang and Xu Bai Structure 13C NMR 碳譜模擬圖 21 . 1,4-dibenzyl-3-(4-hydroxy-butyl)-piperazine-2,5-dione C22H26N2O3 相似度:57.1% Journal of Heterocyclic Chemistry 2008 45 765-772 Studies towards the synthesis of bicyclomycin precursors: Synthesis of N,N'-disubstituted 2,5-diketopiperazines in solution and on solid phase Anna Fryszkowska and Ryszard Ostaszewski Structure 13C NMR 碳譜模擬圖 22 . N-[4-(2-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrim-ido[1,2-a]benzimidazol-3-yl]benzamide C23H18N4O3 相似度:57.1% Journal of Heterocyclic Chemistry 2008 45 1299-1303 A rapid and efficient method for synthesis of pyrimido[1,2-a]-benzimidazole derivatives under microwave irradiation Qiya Zhuang,Chunmei Li,Shujiang Tu,Longji Cao,Dianxiang Zhou,Qingqing Shao and Cheng Guo Structure 13C NMR 碳譜模擬圖 |
5樓2013-07-10 11:35:33
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