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1142338573

新虫 (正式写手)

[求助] 求解碳谱,查找相似度接近的化合物 谢谢 已有1人参与

溶剂为DMSO  碳谱的化学位移为 14.05,20.73,48.56,59.73,170.33
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yangyinhe

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【答案】应助回帖

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1142338573: 金币+10, ★★★很有帮助 2015-05-23 18:46:43
1 .     compound 7
    相似度:80%
Organic Magnetic Resonance          1978          11          590-597
Carbon-13 chemical shifts of some model carboxylic acids and esters
P. A. Couperus, A. D. H. Clague and J. P. C. M. van Dongen
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图

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2 .     Ethylenediaminetetraacetic acid triethyl ester
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    相似度:60%
Tetrahedron          2004          60          747-752
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5 .     (S)-(-)-3,3,3-trifluoro-2-amino-2-methylpropanamide
C4H7F3N2O     相似度:60%
Tetrahedron          2004          60          747-752
The substrate specificity of the heat-stable stereospecific amidase from Klebsiella oxytoca
Nicholas M Shaw, Andrew B Naughton
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图

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6 .     3,3,3-trifluoro-2-methyl-alanine
    相似度:60%
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The substrate specificity of the heat-stable stereospecific amidase from Klebsiella oxytoca
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7 .     2β-methyl-3-dehydro-2',4',4'-tri-O-acetyldesmycosin-20-diethylacetal
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The Journal of Antibiotics          2006          59          98-104
Synthesis of 2-Methyl 16-Membered Macrolide Derived from Tylosin FREE
Yuichi Terui, Kenji Kinoshita, Yoshie Kaneda, Toshi Akashi, Takuya Hamaguchi and Akira Kawashima
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8 .     2-(acetoxymethyl)propyl acetate
C8H14O4     相似度:60%
European Journal of Organic Chemistry          2010                   4671-4686
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Sima Mirilashvili, Naama Chasid-Rubinstein and Amnon Albeck
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
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