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tuai821

铜虫 (小有名气)

[求助] 求助微谱数据,谢谢啦

化合物碳谱数据:
16.2;19.3;29.8;37.0;78.8;111.0;111.2;123.0;130.8;147.8;153.8
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lifeliuyan

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【答案】应助回帖

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感谢参与,应助指数 +1
tuai821: 金币+15, ★★★很有帮助 2013-11-06 18:54:04
以后请按以下格式输入

按从小到大顺序输入,数字间用英文半角逗号(,)分隔例如:
如:21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2

查询结果:共查到18个化合物(查询结果仅供参考)  
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1 .     5-Methoxy-3-(methylthiomethyl)-1H-indole
C11H13NOS     相似度:63.6%
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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2 .     1-sec-butyl-2-[(Z)-3-(methylthio)prop-1-enyl]disulphane
C8H16S3     相似度:54.5%
Natural Product Research          2010          24          1352-1357
New polysulphanes from aerial parts of Ferula behboudiana Rech. f. & Esfand
Maryam Yousefi; Mehdi Mohammadi; Zohreh Habibi; Abbas Shafiee
Structure      13C NMR   碳谱模拟图

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3 .     ethyl (4R,5R,E)-4,5-dihydroxy-6-methylhept-2-enoate
C10H18O4     相似度:54.5%
European Journal of Organic Chemistry          2010                   4802-4822
Stereocontrolled Synthesis of 1,3,5-Triols by an Iteration of Asymmetric Dihydroxylation and Deoxygenation
Patrick Walleser and Reinhard Brückner
Structure      13C NMR   碳谱模拟图

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4 .     8-hydroxycarvacrol
     相似度:54.5%
Natural Product Research          2013          27          1323-1329
New 2,2-diphenylpropane and ethoxylated aromatic monoterpenes from Lavandula gibsoni (Lamiaceae)
Roshan R. Kulkarni & Swati P. Joshi
Structure      13C NMR   碳谱模拟图

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5 .     8-hydroxythymol
C10H14O2     相似度:54.5%
Natural Product Research          2013          27          1323-1329
New 2,2-diphenylpropane and ethoxylated aromatic monoterpenes from Lavandula gibsoni (Lamiaceae)
Roshan R. Kulkarni & Swati P. Joshi
Structure      13C NMR   碳谱模拟图

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6 .     compound 18E
     相似度:54.5%
Organic Magnetic Resonance          1983          21          687-693
Structural studies on 9-hydrazono-6,7,8,9-tetrahydro-4-oxo-4H-pyrido[1,2-a]pyrimidines by 1H, 13C and 15N NMR spectroscopy
Gábor Tóth, ÁRon Szöllösy, Attila Almásy, Benjámin Podányi, István Hermecz, Tibor Breining and Zoltán Mészáros
Structure      13C NMR   碳谱模拟图

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


7 .     1-(4-itrophenyl)-1-octyne
     相似度:50%
Molecules          2000          5          M171
1-(4- itrophenyl)-1-octyne
Bruce A. Hathaway and Steven W. Blanner
Structure      13C NMR   碳谱模拟图

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


8 .     helinorbisabone
C14H18O3     相似度:50%
Phytochemistry          1998          48          631-636
Bioactive norsesquiterpenes from Helianthus annuus with potential allelopathic activity
Francisco A. Macías, Rosa M. Varela, Ascensión Torres, Rosa M. Oliva, JoséM. G. Molinillo
Structure      13C NMR   碳谱模拟图

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


9 .     glepidotin C
C19H22O3     相似度:50%
Phytochemistry          1989          28          3556-3557
Glepidotin C: A minor antimicrobial bibenzyl from Glycyrrhiza lepidota
Sitaraghav R. Gollapudi,Hanumaiah Telikepalli,Ali Keshavarz-Shokri,David Vander Velde,Lester A. Mitscher
Structure      13C NMR   碳谱模拟图

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


10 .     epianastrephin
C12H18O2     相似度:50%
Tetrahedron letters          1983          24          2611-2614
Anastrephin and epianastrephin, novel lactone components isolated from the sex pheromone blend of male caribbean and mexican fruit flies
Merle A Battiste, Lucjan Strekowski, David P Vanderbilt, Melean Visnick, Roy W King, James L Nation
Structure      13C NMR   碳谱模拟图

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


11 .     S-(3-methylbenzofuran-2-yl)methyl thioacetate
C12H12O2S     相似度:50%
European Journal of Organic Chemistry          2010                   3459-3464
Acid-Catalysed or Radical-Promoted Allylic Substitution of 2-Methylene-2,3-dihydrobenzofuran-3-ols with Thiol Derivatives: a Novel and Expedient Synthesis of 2-(Thiomethyl)benzofurans
Bartolo Gabriele, Raffaella Mancuso and Giuseppe Salerno
Structure      13C NMR   碳谱模拟图

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


12 .     1-(2-methoxy-3-methylphenyl)-3-methylimidazol-2(1H)-one
C12H14N2O2     相似度:50%
Canadian Journal of Chemistry          2004          82          1649-1661
Lithiation of 1-arylimidazol-2(1H)-ones and 1-aryl-4,5-dihydroimidazol-2(1H)-ones
Carme Cantos Llopart, Conchita Ferrer, John A Joule
Structure      13C NMR   碳谱模拟图

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


13 .     2-(1,1-dimethylethyl)-4-methylquinoline
C14H18ClN     相似度:50%
Canadian Journal of Chemistry          1991          69          696-701
Tautomerism in ketomethyl quinolines. Part 3. 4-Ketomethylquinolines
John V. Greenhill, Hossein Loghmani-Khouzani, Derek J. Maitland
Structure      13C NMR   碳谱模拟图

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


14 .     2,3-Dihydrotrichostatin A
     相似度:50%
Journal of Natural Products          2011          74          1272-1274
Microbial Transformation of Trichostatin A to 2,3-Dihydrotrichostatin A
Je Won Park, Sung Ryeol Park, Ah Reum Han, Yeon-Hee Ban, Young Ji Yoo, Eun Ji Kim, Eunji Kim, and Yeo Joon Yoon
Structure      13C NMR   碳谱模拟图

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15 .     [3aR*-(3aα,4β,7aβ)]-4-ethenylhexahydro-4,7a-dimethyl-2(3H)-benzofuranone
     相似度:50%
Journal of Agricultural and Food Chemistry          1983          31          1162-1167
Isolation and identification of novel lactones from male Mexican fruit flies
Jerry B. Stokes, Edward C. Uebel, John D. Warthen Jr., Martin Jacobson, Judith L. Flippen-Anderson, Richard Gilardi, Leonard M. Spishakoff, Kenneth R. Wilzer
Structure      13C NMR   碳谱模拟图

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


16 .     1-Butyl-1H-benzo[d][1,3]oxazine-2,4-dione
C12H13NO3     相似度:50%
Bioorganic & Medicinal Chemistry          2012          20          6019-6033
Identification and development of the 1,4-benzodiazepin-2-one and quinazoline-2,4-dione scaffolds as submicromolar inhibitors of HAT
Rachel L. Clark, Carol J. Clements, Michael P. Barrett, Simon P. Mackay, Rajendra P. Rathnam, George Owusu-Dapaah, John Spencer, Judith K. Huggan
Structure      13C NMR   碳谱模拟图

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17 .     3,6,7a-Trimethyl-3a-(4-nitrobenzyl)tetrahydro-3H,4H-3,6-epoxy[1,2]dioxolo[3,4-b]pyran
C16H19NO6     相似度:50%
The Journal of Organic Chemistry          2012          77          1833-1842
Selective Synthesis of Cyclic Peroxides from Triketones and H2O2
Alexander O. Terent’ev, Ivan A. Yaremenko, Vladimir V. Chernyshev, Valery M. Dembitsky, and Gennady I. Nikishin
Structure      13C NMR   碳谱模拟图

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


18 .     debromonagelamide D
     相似度:50%
Journal of Natural Products          2013          76          903-908
Unprecedented Biomimetic Homodimerization of Oroidin and Clathrodin Marine Metabolites in the Presence of HMPA or Phosphonate Salt Tweezers
Clarisse Lejeune, Hua Tian, Jérôme Appenzeller, Ludmila Ermolenko, Marie-Thérèse Martin, and Ali Al-Mourabit
Structure      13C NMR   碳谱模拟图
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