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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, 22.3, 29.7, 33.6, 110.2, 115.5, 121.3, 121.6, 130.4, 152.5
谢谢!
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lifeliuyan

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【答案】应助回帖

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yjl2007: 金币+10 2013-08-28 07:56:04
查询结果:共查到186个化合物(查询结果仅供参考)  
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1 .     carvacrol
    相似度:60%
Acta Bot. Boreal. -Occident. Sin.          2009          29          1893-1897
Isolation and identif ication of Acaricidal Composition of Thymus mongolicus
FENG Gang, ZHANG Jing, BAI Jun, PENG Zheng-qiang
Structure      13C NMR   碳谱模拟图

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2 .     perseafuran
    相似度:60%
Phytochemistry          1996          41          229-232
Alkene-γ-lactones and avocadofurans from Persea indica: a revision of the structure of majorenolide and related lactones
Braulio M. Fraga, David Terrero
Structure      13C NMR   碳谱模拟图

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3 .     methyl 4-butylpyrrole-2-carboxylate
    相似度:60%
Chemical & Pharmaceutical Bulletin          2009          57          167-176
Conversion of 4-Oxoproline Esters to 4-Substituted Pyrrole-2-carboxylic Acid Esters
Yasushi Arakawa, Naomi Yagi, Yukimi Arakawa, Ken-ichi Tanaka and Shigeyuki Yoshifuji
Structure      13C NMR   碳谱模拟图

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4 .     2-(2-Methoxybenzyl)malononitrile
C11H10N2O     相似度:60%
Heterocycles          2011          83          371-383
The Synthesis of Some Derivatives Based on the 4-Benzyl-1H-pyrazole-3,5-diamine Core
Lukáš Jedinák, Vladimír Kryštof, and Petr Cankař
Structure      13C NMR   碳谱模拟图

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5 .     2-(4'-hydroxyphenyl)ethyl dotriacontanoate
C40H72O3     相似度:60%
Journal of Asian Natural Products Research          2011          13          1128-1134
Phenol esters and other constituents from the stem barks of Stereospermum acuminatissimum
Sylvain Valère Tanemossu Sob, Hippolyte Kamdem Wabo, Chun-Ping Tang, Pierre Tane, Bonaventure Tchaleu Ngadjui & Yang Ye
Structure      13C NMR   碳谱模拟图

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6 .     N-(hexen-1-yl)-4-pyridinecarboxamide
C12H16N2O     相似度:60%
Tetrahedron          2012          68          2342-2348
One-pot stibine modified Co2(CO)8 catalyzed reductive N-alkylation of primary amides with carbonyl compounds
Laura Rubio-Pérez, Pankaj Sharma, F. Javier Pérez-Flores, Luis Velasco, J. Luis. Arias, Armando Cabrera
Structure      13C NMR   碳谱模拟图

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7 .     1-bromo-4-methyloct-3-ene
    相似度:60%
Journal of Chemical Ecology          2012          38          814-824
The Male-produced Sex Pheromone of the True Bug, Phthia picta, is an Unusual Hydrocarbon
Rafael A. Soldi, Mauro A. C. M. Rodrigues, Jeffrey R. Aldrich, Paulo H. G. Zarbin
Structure      13C NMR   碳谱模拟图

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8 .     GS14A
    相似度:58.3%
Phytochemistry          1989          28          2741-2744
Diterpenes from Fleischmannia hymenophylla and Brickellia laciniata
J. Jakupovic,F. Tsichritzis,G. Tamayo-Castillo,V. Castro,F. Bohlmann,E. Boldt
Structure      13C NMR   碳谱模拟图

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9 .     GS14B
    相似度:58.3%
Phytochemistry          1989          28          2741-2744
Diterpenes from Fleischmannia hymenophylla and Brickellia laciniata
J. Jakupovic,F. Tsichritzis,G. Tamayo-Castillo,V. Castro,F. Bohlmann,E. Boldt
Structure      13C NMR   碳谱模拟图

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

10 .     4-butyl-6-tert-butyl-8-chloro-2-hydroxy-1,2-λ5-benzoxaphosphinine 2-oxide
C16H22ClO3P     相似度:58.3%
Russian Journal of Organic Chemistry          2007          43          1737-1739
Regioselectivityofthereactionof4,6-di-tert-butyl-2,2,2-trichloro-1,3,2λ5-benzodioxaphospholewithhex-1-yne.ipsosubstitutionoftert-butylgroup
A. V. Nemtarev, E. N. Varaksina, V. F. Mironov, R. Z. Musin and A. I. Konovalov
Structure      13C NMR   碳谱模拟图

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11 .     Disodium ({2-[(5-Chloro-3,4-dihydro-2,4-dioxopyrimidin-1(2H)-yl)methyl]cyclopent-1-en-1-yl}methyl)phosphonate
C11H12ClN2O5P     相似度:54.5%
Helvetica Chimica Acta          2009          92          823-838
Syntheses of 5-Chlorouracils/Thymines with 1-[Phosphono(Methyl/Difluoromethyl)]-1,2-Unsaturated-Moiety-Substituted Methyl Groups at N(1) and Human Thymidine Phosphorylase Inhibitory Activity
Matthew R. Birck, Keith Clinch, Graeme J. Gainsford, Vern L. Schramm, Peter C. Tyler
Structure      13C NMR   碳谱模拟图

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12 .     2-(1-Ethoxyethylthio)-N-methylbenzeneamine
    相似度:54.5%
Steroids          2007          72          60-63
A concise effective deprotection of spiro 3-cyclic thiaza ketal of steroidal 1,4-dien-3-one
Bei Na Zhang, Ying Chen, Qian Zhang, Peng Xia
Structure      13C NMR   碳谱模拟图

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13 .     compound 1a
    相似度:54.5%
Journal of Natural Products          1982          Vol 45          532-538
Separation and Characterization of Poison Ivy and Poison Oak Urushiol Components
Mahmoud A. ElSohly, Prakash D. Adawadkar, Cheng-Yu Ma, Carlton E. Turner
Structure      13C NMR   碳谱模拟图

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

14 .     compound 2a
    相似度:54.5%
Journal of Natural Products          1982          Vol 45          532-538
Separation and Characterization of Poison Ivy and Poison Oak Urushiol Components
Mahmoud A. ElSohly, Prakash D. Adawadkar, Cheng-Yu Ma, Carlton E. Turner
Structure      13C NMR   碳谱模拟图

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15 .     L-tryptophan
    相似度:54.5%
Acta Pharmaceutica Sinica          2007          Vol 42          1070-1073
A new coumarin glycoside from Glehnia littoralis
ZHAO Ya; YUAN Zhong
Structure      13C NMR   碳谱模拟图

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16 .     2-(p-hydroxyphenyl)Ethylstearate
    相似度:54.5%
Phytochemistry          1992          31          195-197
A eudesmanolide and other constituents from Inula graveolens
Seviˇl O¨ksu¨z, Gu¨laçti Topçu
Structure      13C NMR   碳谱模拟图

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17 .     Compound 1b
    相似度:54.5%
Magnetic Resonance in Chemistry          2010          48          607-613
GIAO DFT 13C/15N chemical shifts in regioisomeric structure determination of fused pyrazoles (pages 607–613)
Stefano Chimichi, Marco Boccalini, Alessandra Matteucci, Sergey V. Kharlamov, Shamil K. Latypov and Oleg G. Sinyashin
Structure      13C NMR   碳谱模拟图

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18 .     6-Methyl-3-(methylthiomethyl)-1H-indole
C11H13NS     相似度:54.5%
Tetrahedron          2012          68          1560-1565
A novel NH4OAc and CuBr(PPh3)3-induced intermolecular Pummerer-type reaction between free (NH)-indoles and dimethylsulfoxide: facile synthesis of 3-methylthiomethyl substituted indoles
Jin Liu, Xianxue Wang, Han Guo, Xiaokang Shi, Xiaoyu Ren, Guosheng Huang
Structure      13C NMR   碳谱模拟图

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19 .     compound 9c
    相似度:54.5%
European Journal of Organic Chemistry          2012                   1994-2000
Highly Efficient Synthesis of Ureas and Carbamates from Amides by Iodosylbenzene-Induced Hofmann Rearrangement
Peng Liu, Zhiming Wang and Xianming Hu
Structure      13C NMR   碳谱模拟图

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20 .     1-(4-propyl-1,2,3-thiadiazol-5-yl)-1H-1,2,3-benzotriazole
C11H11N5S     相似度:54.5%
Heterocycles          2002          58          311-316
4H-[1,2,3]-Thiadiazolo[3,4-a]benzimidazoliumides
Alan R. Katritzky,* George N. Nikonov, Dmytro O. Tymoshenko, and Peter J. Steel
Structure      13C NMR   碳谱模拟图
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