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yjl2007

金虫 (正式写手)

[求助] 求助一化合物微谱数据结构

化合物碳谱数据如下,溶剂是氘代氯仿:

14.1, 21.9, 22.6, 24.7, 27.2, 29.1, 29.2, 29.3, 29.4, 29.5, 29.6, 29.7, 31.9, 34.1, 67.4, 128.0, 130.0

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wangwang1989

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【答案】应助回帖

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yjl2007: 金币+10 2013-06-21 11:50:22
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2574个化合物(查询结果仅供参考)
1 .     (S,Z)-nonadec-10-ene-1,2-diol
C19H38O2     相似度:83.3%
Tetrahedron          2012          68          2973-2983
Synthesis of (Z)-(2'R)-1-O-(2'-methoxynonadec-10'-enyl)-sn-glycerol, a new analog of bioactive ether lipids
René Pemha, Dieudonné Emmanuel Pegnyemb, Paul Mosset
Structure      13C NMR   碳谱模拟图
2 .     十八碳二烯酸
C18H32O2     相似度:83.3%
Journal of Anhui Agricultural Sciences          2009          37          11001-11002
Study on the Chemical Components in the Roots of Anthriscus sylvestris
WANG Yue-feng et al
Structure      13C NMR   碳谱模拟图
3 .     hexadec-(4Z)-enoic acid
C16H30O2     相似度:82.3%
Journal of Natural Products          1993          Vol 56          456
Hydroxyalk-(4Z)-enoic Acids and Volatile Components from the Seeds of Zanthoxylum armatum
Ateeque Ahmad, Laxmi N. Misra, Madan M. Gupta
Structure      13C NMR   碳谱模拟图
4 .     (Z)-6-Hexadecenoic acid
    相似度:82.3%
Bioorganic & Medicinal Chemistry          2011          19          567-579
Design, synthesis and antimycobacterial activities of 1-methyl-2-alkenyl-4(1H)-quinolones
Abraham A. Wube, Antje Hüfner, Christina Thomaschitz, Martina Blunder, Manfred Kollroser,Rudolf Bauer, Franz Bucar
Structure      13C NMR   碳谱模拟图
5 .     (Z)-7-Heptadecen-2-one
    相似度:82.3%
Bioorganic & Medicinal Chemistry          2011          19          567-579
Design, synthesis and antimycobacterial activities of 1-methyl-2-alkenyl-4(1H)-quinolones
Abraham A. Wube, Antje Hüfner, Christina Thomaschitz, Martina Blunder, Manfred Kollroser,Rudolf Bauer, Franz Bucar
Structure      13C NMR   碳谱模拟图
6 .     compound 3i
C16H32O2     相似度:82.3%
Heterocycles          2007          72          529-540
Alkyl-and Arylation of Oxacyclic Ethers with Triethylsilyl Triflate—2, 4, 6-Collidine—Gilman Reagent Combination: Remarkable Discrimination of Two Ether Oxygens
Hiromichi Fujioka, Takuya Ohnaka, Takashi Okitsu, Ozora Kubo, Kazuhisa Okamoto, Yoshinari Sawama, and Yasuyuki Kita
Structure      13C NMR   碳谱模拟图
7 .     9-octadecenoic acid
C18H34O2     相似度:82.3%
Chinese Journal of Marine Drugs          2012          31          7-10
Secondary metabolites of marine fungus zp6 and their antifungal bioactivities
GAO Chang-song; ZHONG Hui-min; CAO Jun-wei; CHEN Hao
Structure      13C NMR   碳谱模拟图
8 .     n-hexacos-17-enoic acid
C26H50O2     相似度:78.9%
Indian Journal of Chemistry          2009          48B          1164-1169
A new aliphatic acid from Achyranthes aspera Linn. Roots
Sharma,Surendra Kr; Vasudeva,Neeru; Ali,M
Structure      13C NMR   碳谱模拟图
9 .     1-Benzhydryl-3-hexadecyl imidazol-3-ium bromide
C32H46N2     相似度:77.7%
Bioorganic & Medicinal Chemistry          2011          19          4868-4875
LuxR dependent quorum sensing inhibition by N, N'-disubstituted imidazolium salts
Mohamad Sabbah, Laurent Soulère, Sylvie Reverchon, Yves Queneau, Alain Doutheau
Structure      13C NMR   碳谱模拟图
10 .     compound 9
C23H44O2     相似度:77.7%
Indian Journal of Chemistry          2010          49B          1637-1641
A new quinone from Maesa indica (roxb.)A.dc,(myrsinaceae)
Gina R Kuruvilla,M Neeraja,A Srikrishna* G S R Subba Rao,A V S Sudhakar &Padma Venkatasubramanian
Structure      13C NMR   碳谱模拟图
11 .     (Z)-1-chlorononadec-10-en-2-ol
    相似度:77.7%
Tetrahedron          2012          68          2973-2983
Synthesis of (Z)-(2'R)-1-O-(2'-methoxynonadec-10'-enyl)-sn-glycerol, a new analog of bioactive ether lipids
René Pemha, Dieudonné Emmanuel Pegnyemb, Paul Mosset
Structure      13C NMR   碳谱模拟图
12 .     methyl oleate
    相似度:77.7%
European Journal of Organic Chemistry          2010                   1989-1998
New Methodology for the Conversion of Epoxides to Alkenes
Feng-Ling Wu, Benjamin P. Ross and Ross P. McGeary
Structure      13C NMR   碳谱模拟图
13 .     linoleicacid;(9Z,12Z)-9,12-octade-canoic acid
C18H32O2     相似度:77.7%
Revista Latinoamericana de Química          2011          39          62-74
Bioactive constituents and biochemical composition of the egyptian brown alga Sargassum Subrepandum (Forsk).
Ghada S. E. Abou-El-Wafa, Khaled A. Shaaban, Mohamed E. E. El-Naggar, Mohamed Shaaban
Structure      13C NMR   碳谱模拟图
14 .     cis-15-vaccenic acid
    相似度:77.7%
Modern Chinese Medicine          2012          14          7-11
Separation and Identification of Chemical Constituents from Agriophyllum squarrosum( L. ) Moq.
GONG Bang, ZHAN Kai-xuan, ZHOU Yu-hua, ZHANG Lan, HUI Ye-qian, LI Yu-shan
Structure      13C NMR   碳谱模拟图
15 .     Cis-9-Octadecenoic acid.
    相似度:77.7%
Journal of Agricultural and Food Chemistry          2002          50          357-360
Monoacylglycerol from Punica granatum Seed Oil
Majekodunmi O. Fatope, Suad Khamis S. Al Burtomani, and Yoshio Takeda
Structure      13C NMR   碳谱模拟图
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