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wjw6327

銀蟲(chóng) (初入文壇)

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專(zhuān)業(yè): 合成藥物化學(xué)

[求助] 求助微譜數(shù)據(jù)

13CNMR(101MHz,CDCl3)δ.118.48,121.74,124.82,125.53,128.31,128.34,128.70,128.93,129.37,129.52,130.35,131.37,132.18,133.19,133.96,134.03,137.54,138.00,159.12,162.17.

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JYN-33 微譜求助，急求，謝謝，追加金幣。。。已經(jīng)有6人回復(fù)
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[求助]哪位好人學(xué)校可以使用微譜數(shù)據(jù)庫(kù)，幫我檢索幾個(gè)化合物的母核。謝謝！已經(jīng)有4人回復(fù)

1樓 2013-07-17 09:57:51

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感謝參與，應(yīng)助指數(shù) +1
wjw6327(豆哥代發(fā)): 金幣+20, 謝謝 2013-07-20 13:46:34

查詢模式：模糊查詢
碳譜數(shù)據(jù)輸入：
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%)

查詢結(jié)果：共查到7862個(gè)化合物(查詢結(jié)果僅供參考)
1 .    3-(4-chlorobenzylidene)-2-phenyl-3H-1,4-benzodiazepine
C22H15ClN2    相似度:80%
European Journal of Organic Chemistry       2011                6933-6938
Temperature-Dependent Regioselective Synthesis of 1,2,4-Triazino[2,3-b]indazoles and 3H-1,4-Benzodiazepines by Domino-Staudinger/Aza-Wittig/Isomerization Reaction
Hai Xie, Jian-Bo Yu and Ming-Wu Ding
Structure    13C NMR 碳譜模擬圖
2 .    [2-(2-chlorophenyl)naphthalen-1-yl](phenyl)methanone
C23H15ClO    相似度:76.1%
European Journal of Organic Chemistry       2010                4211-4217
ZnI2-Catalyzed Benzannulation of o-Alkynylbenzaldehydes with Alkenes Leading to 1-Acyl-2-Substituted Naphthalenes
Xia Zhao, Xing-Guo Zhang, Ri-Yuan Tang, Chen-Liang Deng and Jin-Heng Li
Structure    13C NMR 碳譜模擬圖
3 .    (S)-2-N-Amino-2'-(bis(4-fluorophenylphosphino)-1,1'-binaphthyl
C32H22NF2P    相似度:76.1%
Molecules       2013       18       2788-2802
Synthesis of New BINAP-Based Aminophosphines and Their 31P-NMR Spectroscopy
Christopher Anstiss, Peter Karuso, Mark Richardson and Fei Liu
Structure    13C NMR 碳譜模擬圖
4 .    N-Naphthalen-1-yl-N'-o-tolyl-oxalamide
C19H16N2O2    相似度:75%
Bioorganic & Medicinal Chemistry       2011       19       4746-4771
Ligand-based modelling followed by synthetic exploration unveil novel glycogen phosphorylase inhibitory leads
Maha Habash, Mutasem O. Taha
Structure    13C NMR 碳譜模擬圖
5 .    3-methyl-5-{(Z)-3-(3-methyl-4-nitro-5-isoxazolyl)-2,4-diphenyl-1-[(Z)-1-phenylmethylidene]-3-butenyl}-4-nitroisoxazoles
C31H24N4O6    相似度:75%
Chemical & Pharmaceutical Bulletin       2010       58       833-839
A Fast and Highly Efficient Protocol for Synthesis of Pyrrolo[2,3-d]isoxazoles and a New Series of Novel Benzyl Bis-pyrrolo[2,3-d]isoxazoles Using Task-Specific Ionic Liquids as Catalyst and Green Solvent
Eligeti Rajanarendar, Samala Raju, Atthunuri Siva Rami Reddy, Kundur Govardhan Reddy and Modugu Nagi Reddy
Structure    13C NMR 碳譜模擬圖
6 .    11b,12-dihydro-5,11b-(6'-bromothioepoxy[1',2']-benzeno)-5H-isoindolo[2,1-b]isoquinolin-7-one
C22H14BrNOS    相似度:75%
Organic letters       2000       2       1201-1204
Formation of New 5,11b-Bridged Isoindolo[2,1-b]isoquinolinones Alkaloids through a Tandem Pummerer/π-Cationic Cyclization
Nicolas Hucher, Adam Daich, and Bernard Decroix
Structure    13C NMR 碳譜模擬圖
7 .    2-chloro-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
C22H16ClN3O    相似度:75%
Journal of Heterocyclic Chemistry       2010       47       831-836
An efficient one-pot synthesis of N-(1,3-diphenyl-1H-pyrazol- 5-yl)amides
Wei-Nien Su, Tsung-Ping Lin, Kaung-Min Cheng, Kuan-Chin Sung, Shao-Kai Lin and Fung Fuh Wong
Structure    13C NMR 碳譜模擬圖
8 .    Compound 13
相似度:75%
Magnetic Resonance in Chemistry       2006       44       895-900
1H, 13C and 15N NMR spectral characterization of twenty-seven 1, 2-diaryl-(4E)-arylidene-2-imidazolin-5-ones (pages 895–900)
Katri Laihia, Erkki Kolehmainen, Vladimir Nikiforov and Sergei Miltsov
Structure    13C NMR 碳譜模擬圖

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