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[求助] 微谱求助，提供相似度前20的即可已有1人参与

C1-3-4模糊查询，溶剂不限，提供相似度前20个化合物即可：
14.1,22.7,29.4,29.7,29.7,29.7,31.9,55.5,55.7,95.8,100.6,101.17,102.6,112.0,128.3,130.1,132.4,154.9,155.8,158.2,161.1

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热爱科学，解决问题

1楼 2014-07-02 16:00:09

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wangkaibo123

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感谢参与，应助指数 +1
weihua20: 金币+18 2014-11-01 15:39:35

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152个化合物(查询结果仅供参考)
1 .    (Z)-4-Methoxy-2-(methoxymethoxy)-1-[1-(4-methoxyphenyl)oct-1-en-1-yl]benzene
C24H32O4    相似度:68.1%
European Journal of Organic Chemistry       2012                1603-1615
A One-Pot Three-Step Synthesis of Z-Trisubstituted Olefins from Arylalkynes and Their Cyclization into 4-Aryl-2H-chromenes
Evelia Rasolofonjatovo, Bret Tréguier, Olivier Provot, Abdallah Hamze, Jean-Daniel Brion and Mouad Alami
Structure    13C NMR 碳谱模拟图
2 .    methyldactyloidin
相似度:61.9%
Natural Product Research       1998       12       91-95
Dactyloidin, a New Diaryl Nonanoid from Myristica Dactyloides
H. M. T. B. Herath; A. M. A. Priyadarshani; Joanne Jamie
Structure    13C NMR 碳谱模拟图
3 .    methyldactyloidin
相似度:61.9%
Natural Product Research       1999       14       141-146
Demethyldactyloidin and Other Constituents in Myristica Ceylanica
H. M. T. B. Herath; Wimal Padmasiri
Structure    13C NMR 碳谱模拟图
4 .    3-(4-methoxyphenyl)-5-pentadecyl-1,3-benzoxazine-2,4-dione
C30H41NO4    相似度:59.0%
Heterocycles       2005       65       311-318
New Application of Triphosgene in a Convenient Synthesis of 3-Aryl-1,3-benzoxazine-2,4-diones from Anacardic Acids
Inês Sabioni Resck,* Maria Lucilia dos Santos, and Luiz Antonio Soares Romeiro
Structure    13C NMR 碳谱模拟图
5 .    5-(Dodecyn-1-yl)-1-tosyluracil
C23H30N2O4S    相似度:57.1%
Canadian Journal of Chemistry       2006       84       580-586
Synthesis and biological evaluation of 5-(alkyn-1-yl)-1-(p-toluenesulfonyl)uracil derivatives1,2
Zlatko Janeba, Jan Balzarini, Graciela Andrei, Robert Snoeck, Erik De Clercq, and Morris J. Robins
Structure    13C NMR 碳谱模拟图
6 .    1-Methoxy-4-[1-(4-decanesulfanyl)-3-(phenylsulfanyl)-2-propyn-1-yl]-benzene
C26H34OS2    相似度:57.1%
Chemical & Pharmaceutical Bulletin       2011       59(9)       1133-1140
Lewis Acid-Catalyzed Propargylic Etherification and Sulfanylation from Alcohols in MeNO2–H2O
Katsuki OHTA, Eri KOKETSU, Yuya NAGASE, Nami TAKAHASHI, Hiroyasu WATANABE, and Mitsuhiro YOSHIMATSU
Structure    13C NMR 碳谱模拟图
7 .    3-(4-octyloxyphenyl)-6-(trimethylsilylethynyl)pyridazine
C23H32N2OSi    相似度:57.1%
Heterocycles       2008       75       357-374
Oligomers Containing Ethynylpyridazine Moieties: Synthesis, Fluorescence and Liquid Crystalline Properties. Diazines 50
Sylvain Achelle, Nelly Plé, David Kreher, Fabrice Mathevet, Alain Turck, and André-Jean Attias
Structure    13C NMR 碳谱模拟图
8 .    2-amino-6-(n-hexyl)-7-hydroxy-4-(4-chlorophenyl)-4H-chromene-3-carbonitrile
C22H23N2O2Cl    相似度:57.1%
Heterocycles       2004       63       1793-1812
Synthesis of Hydroxyquinoline Derivatives, Aminohydroxychromene, Aminocoumarin and Their Antibacterial Activities
Alaa S. Abd-El-Aziz,* Ahmed M. El-Agrody, Ahmed H. Bedair, T. Christopher Corkery, and Athar Ata
Structure    13C NMR 碳谱模拟图
9 .    compound 4
C28H46O7S    相似度:57.1%
Tetrahedron Letters       2001       42       5845-5847
Synthesis of an orthogonally protected d-(+)-erythro-sphingosine
Joseph M Gargano, Watson J Lees
Structure    13C NMR 碳谱模拟图
10 .    compound 5
C27H43N3O4    相似度:57.1%
Tetrahedron Letters       2001       42       5845-5847
Synthesis of an orthogonally protected d-(+)-erythro-sphingosine
Joseph M Gargano, Watson J Lees
Structure    13C NMR 碳谱模拟图
11 .    ethyl 2-(1,1'-biphenyl-3-n-heptyl-4'-ol-4-oxy) acetate
相似度:57.1%
Bioorganic & Medicinal Chemistry       2014       22       917-926
4,4′-Unsymmetrically substituted 3,3′-biphenyl alpha helical proteomimetics as potential coactivator binding inhibitors
Patrick T. Weiser, Ching-Yi Chang, Donald P. McDonnell, Robert N. Hanson
Structure    13C NMR 碳谱模拟图
12 .    2-(6-decyloxybenzoxazol-2-yl)-5-methoxyphenol
相似度:56.5%
Tetrahedron       2011       67       7358-7369
Columnar/smectic metallomesogens derived from heterocyclic benzoxazoles
I-Tzu Wu, Pei-Yi Chaing, Wen-Jung Chang, Hwo-Shuenn Sheu, Gene-Hsiang Lee, Chung K. Lai
Structure    13C NMR 碳谱模拟图
13 .    2-octyl-1-(3,4,5-trimethoxyphenyl)pyrido[2,3-b]quinoxalin-4(1H)-one
C28H33N3O4    相似度:56%
Tetrahedron       2013       69       2309-2318
Efficient synthesis of novel benzo[1,8]naphthyridin-4(1H)-ones and pyrido[2,3-b]quinoxalin-4(1H)-ones from alkynones and primary amines
Viktor O. Iaroshenko, Muhammad Zahid, Satenik Mkrtchyan, Ashot Gevorgyan, Kai Altenburger, Ingo Knepper, Alexander Villinger, Vyacheslav Ya. Sosnovskikh, Peter Langer
Structure    13C NMR 碳谱模拟图
14 .    3-(4-methylphenyl)-5-pentadecyl-1,3-benzoxazine-2,4-dione
C30H41NO3    相似度:54.5%
Heterocycles       2005       65       311-318
New Application of Triphosgene in a Convenient Synthesis of 3-Aryl-1,3-benzoxazine-2,4-diones from Anacardic Acids
Inês Sabioni Resck,* Maria Lucilia dos Santos, and Luiz Antonio Soares Romeiro
Structure    13C NMR 碳谱模拟图
15 .    compound 1
C108H134F4O6S2    相似度:54.5%
European Journal of Organic Chemistry       2010                3049-3067
Synthesis of Fluorine-Containing Molecular Rotors and Their Assembly on Gold Nanoparticles
Dominic Thibeault, Michèle Auger and Jean-François Morin
Structure    13C NMR 碳谱模拟图

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