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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
    相似度:60%
Zeitschrift für Naturforschung B          2005          60          83-88
Synthesis of Monomeric Acridine Derived Nucleic Acid Intercalators
R. Csuk, C. Raschke, G. Göthe, and S. Reißmann
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图

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3 .     Dibutyl-N-(1,2,4-triazol-4-yl)sulfoximine
C10H20N4OS     相似度:60%
European Journal of Organic Chemistry          2012                   1554-1562
Sulfur–Nitrogen and Carbon–Nitrogen Bond Formation by Intermolecular Imination and Amidation without Catalyst
Wen Bo Ma, Sheng Nan Li, Zhong Hua Zhou, Heng Shui Shen, Xue Li, Qiu Sun, Ling He and Ying Xue
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图

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4 .     3,3,3-trifluoro-2-amino-2-methylpropanamide
    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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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

--------------------------------------------------------------------------------




6 .     3,3,3-trifluoro-2-methyl-alanine
    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

--------------------------------------------------------------------------------




7 .     2β-methyl-3-dehydro-2',4',4'-tri-O-acetyldesmycosin-20-diethylacetal
    相似度:60%
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
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图

--------------------------------------------------------------------------------




8 .     2-(acetoxymethyl)propyl acetate
C8H14O4     相似度:60%
European Journal of Organic Chemistry          2010                   4671-4686
Optically Active N- and C-Terminal Building Blocks for the Synthesis of Peptidyl Olefin Peptidomimetics
Sima Mirilashvili, Naama Chasid-Rubinstein and Amnon Albeck
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
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