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lcyscau

木虫 (正式写手)

[求助] 求助微谱查询

碳谱数据如下,谢谢啦
172.9,135.6,128.9,128.3,126.6,60.3,42.5,41.8
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wangkaibo123

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【答案】应助回帖

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感谢参与,应助指数 +1
lcyscau: 金币+20, ★★★很有帮助 2013-08-15 07:29:52
下回数据别反了

查询模式:模糊查询
碳谱数据输入:
按从小到大顺序输入,数字间用英文半角逗号(,)分隔例如:
21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2

溶剂选项:
匹配容差: (数字格式,可自行设定)
相似度:   %(相似度>=50%)



查询结果:共查到778个化合物(查询结果仅供参考)
1 .     2-Phenylacetamide
C9H9NO     相似度:75%
Journal of Natural Products          1991          Vol 54          1056
Aromatic Secondary Metabolites from the Sponge Tedania ignis
Rhonda L. Dillman, John H. Cardellina II.
Structure      13C NMR   碳谱模拟图
2 .     N,N'-甲基-苯基脲
    相似度:75%
Chinese Journal of Marine Drugs          2000          19(5)          1-3
STUDIES ON THE CHEMICAL CONSTITUTIONS OF THE SPONGE SUBERITES TYLOBTUSA LEVI
Li Wenlin, Mao Shilong, Yi Yanghua
Structure      13C NMR   碳谱模拟图
3 .     2-(2-Phenylacetamido)acetic acid
C10H11NO3     相似度:75%
Bioorganic & Medicinal Chemistry          2012          20          3465-3469
Development of a new enzyme-responsive self-immolative spacer conjugate applicable to the controlled drug release
Hui-juan Jin, Jing Lu, Xue Wu
Structure      13C NMR   碳谱模拟图
4 .     methyl α-mercapto-β-phenylpropionate
    相似度:75%
Tetrahedron          2012          68          3616-3625
Reactions of α-mercaptocarboxylic acid hydrazides with triethyl orthoesters: synthesis of 1,3,4-thiadiazin-5(6H)-ones and 1,3,4-oxadiazoles
Agnieszka Kudelko
Structure      13C NMR   碳谱模拟图
5 .     N-(phenylacetyl)-1,2-ethanediamine
    相似度:75%
Journal of Medicinal Chemistry          1999          42          3647-3656
Design, Synthesis, and Biological Evaluation of Novel Non-Piperazine Analogues of 1-[2-(Diphenylmethoxy)ethyl]- and 1-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazines as Dopamine Transporter Inhibitors
Sung-Woon Choi, David R. Elmaleh, Robert N. Hanson, and Alan J. Fischman
Structure      13C NMR   碳谱模拟图
6 .     comopund 7
    相似度:66.6%
Organic letters          2000          2          3949-3952
Preparation of (S)-N-Substituted 4-Hydroxy-pyrrolidin-2-ones by Regio- and Stereoselective Hydroxylation with Sphingomonas sp. HXN-200
Dongliang Chang, Bernard Witholt, and Zhi Li
Structure      13C NMR   碳谱模拟图
7 .     Ethyl 3-hydroxy-3-phenylpropanoate
    相似度:66.6%
Tetrahedron Letters          2001          42          6477-6479
Ultrasound in enzymatic resolution of ethyl 3-hydroxy-3-phenylpropanoate
Carlos Magno R Ribeiro, Elisa N Passaroto, Eugênia C.S Brenelli
Structure      13C NMR   碳谱模拟图
8 .     N-(3-phenylpropionyl)-1,2-ethanediamine
    相似度:66.6%
Journal of Medicinal Chemistry          1999          42          3647-3656
Design, Synthesis, and Biological Evaluation of Novel Non-Piperazine Analogues of 1-[2-(Diphenylmethoxy)ethyl]- and 1-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazines as Dopamine Transporter Inhibitors
Sung-Woon Choi, David R. Elmaleh, Robert N. Hanson, and Alan J. Fischman
Structure      13C NMR   碳谱模拟图
9 .     ethyl 3-hydroxyl-3-phenylpropanoate
    相似度:66.6%
Tetrahedron          2013          69          607-612
N-Heterocyclic carbene mediated Reformatsky reaction of aldehydes with α-trimethylsilylcarbonyl compounds
Xiao-Lei Zou, Guang-Fen Du, Wan-Fu Sun, Lin He, Xiao-Wei Ma, Cheng-Zhi Gu, Bin Dai
Structure      13C NMR   碳谱模拟图
10 .     3-hidróxi-3-fenilpropanoato de etila
    相似度:66.6%
Química Nova          2008          31          735-739
1,2- and 1,3-dihydroxylated and hydroxynitrogenated monoterpenes as chiral ligands in the asymmetric reformatsky reaction
Ribeiro, Carlos Magno R.; Morita, Cristina M.; Maia, Mônica P.
Structure      13C NMR   碳谱模拟图
11 .     compound 3
    相似度:63.6%
The Journal of Antibiotics          1995          48          1413-1418
Phenopyrrozin, a New Radical Scavenger Produced by Penidllium sp. FO-2047
KAZURO SHIOMI, HONG YANG, Qi Xu, NORIKO ARAI, MIKIE NAMIKI, MASAHIKO HAYASHI, JUNJI INOKOSHI, HIDEO TAKESHIMA, ROKURO MASUMA, KANKI KOMIYAMA, SATOSHI OMURA
Structure      13C NMR   碳谱模拟图
12 .     (E)-ethyl 3-hydroxy-5-phenylpent-4-enoate
    相似度:63.6%
Tetrahedron          2013          69          607-612
N-Heterocyclic carbene mediated Reformatsky reaction of aldehydes with α-trimethylsilylcarbonyl compounds
Xiao-Lei Zou, Guang-Fen Du, Wan-Fu Sun, Lin He, Xiao-Wei Ma, Cheng-Zhi Gu, Bin Dai
Structure      13C NMR   碳谱模拟图
13 .     Methyl (S)-3-[N-(3'-Chloropropyl)-N-methylamino]-3-phenylpropanoate
C14H21ClNO2     相似度:63.6%
The Journal of Organic Chemistry          2012          77          7028-7045
Asymmetric Syntheses of the Homalium Alkaloids (−-(S,S)-Homaline and (−-(R,R)-Hopromine
Stephen G. Davies, James A. Lee, Paul M. Roberts, Jeffrey P. Stonehouse, and James E. Thomson
Structure      13C NMR   碳谱模拟图
14 .     cyclo(Benzyl-Gly)
C10H10N2O2     相似度:62.5%
Chemistry of Natural Compounds          2009          45          290-292
DIKETOPIPERAZINE CONSTITUENTSOF MARINE Bacillus subtilis
Xiaoling Lu, Yunheng Shen, Yuping Zhu,Qiangzhi Xu, Xiaoyu Liu, Kunyi Ni, Xin Cao,Weidong Zhang, and Binghua Jiao1
Structure      13C NMR   碳谱模拟图
15 .     Phenylacetic acid
C8H8O2     相似度:62.5%
Journal of Natural Products          2010          73          553-556
Jacaranone-Derived Glucosidic Esters from Jacaranda glabra and Their Activity against Plasmodium falciparum
M. Salomé Gachet, Olaf Kunert, Marcel Kaiser, Reto Brun, Ricardo A. Muñoz, Rudolf Bauer and Wolfgang Schühly
Structure      13C NMR   碳谱模拟图
16 .     methyl α-truxillate
    相似度:62.5%
Phytochemistry          1994          36          529-530
α-Truxillic acid from Halimium verticillatum
J. G. Urones, I. S. Marcos, D. Diez Martin, J. M. L. Rodilla, D. I. M. Dinis de Mendoça, D. J. Williams
Structure      13C NMR   碳谱模拟图
17 .     1-[13C]-phenylacetamid
    相似度:62.5%
Helvetica Chimica Acta          1978          61          1730-1755
Die massenspektrometrische retro-Diels-Alder-Reaktion: 1, 2, 3, 4-Tetrahydroisochinolin und 1, 2, 3, 4-Tetrahydronaphthalin (Tetralin). 31. Mitteilung über massenspektrometrische Untersuchungen
Rudolf Gretler, Elefteria Askitol̈, Hardy Kühne and Manfred Hesse
Structure      13C NMR   碳谱模拟图
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