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20001214

金虫 (初入文坛)

[求助] 求微谱,哪位大神帮个忙? 已有1人参与

碳谱数据:
144.9, 140.5, 128.8, 128.3, 127.9, 126.3, 125.8, 123.6, 75.0, 74.8, 68.2, 68.2, 29.1, 28.8, 15.8
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风行者007

至尊木虫 (著名写手)

【答案】应助回帖

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感谢参与,应助指数 +1
20001214: 金币+10, ★★★★★最佳答案 2014-06-13 23:42:04
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407个化合物(查询结果仅供参考)
1 .     2-(4-biphenylyl)-4-(4-ethylphenyl)-1H-imidazole
C23H20N2     相似度:66.6%
Heterocycles          2005          65          1975-1984
Synthesis of 2,4-Diarylimidazoles through Suzuki Cross-coupling Reactions of Imidazole Halides with Arylboronic Acids
Ingo Langhammer and Thomas Erker*
Structure      13C NMR   碳谱模拟图
2 .     5-methyl-5-phenyl-3-(3-phenyl-propyl)-4,5-dihydroisoxazole
C19H21NO     相似度:66.6%
Bioorganic & Medicinal Chemistry          2010          18          3437-3447
Synthesis and biological evaluation of phenolic 4, 5-dihydroisoxazoles and 3-hydroxy ketones as estrogen receptor α and β agonists
Pekka K. Poutiainen, Tuomas A. Venäläinen, Mikael Peräkylä, Juha M. Matilainen, Sami Väisänen, Paavo Honkakoski, Reino Laatikainen, Juha T. Pulkkinen
Structure      13C NMR   碳谱模拟图
3 .     benzyloxy-(2,2-dimethyl-[1,3]dioxolan-4-yl)-acetic acidmethyl ester
C15H20O5     相似度:66.6%
Tetrahedron          2013          69          2157-2166
Stereoselective total synthesis of both (6R,9R,10S,7E)- and (6S,9R,10S,7E)-epimers of oxylipin (9R,10S,7E)-6,9,10-trihydroxyoctadec-7-enoic acid
Bishwajit Saikia, Thongam Joymati Devi, Nabin C. Barua
Structure      13C NMR   碳谱模拟图
4 .     3-Hydroxy-2-methyl-3-(4-biphenylyl)butanoic acid
C17H18O3     相似度:60%
Molecules          2008          13          603-615
Docking Studies and Anti-inflammatory Activity of β-Hydroxy-β-arylpropanoic Acids
Sanda P. Dilber, Silva L. Dobric, Zorica D. Juranic, Bojan D. Markovic, Sote M. Vladimirov and Ivan O. Juranic
Structure      13C NMR   碳谱模拟图
5 .     1-(4'-Ferrocenyl)benzoyl-2-phenylcyclopropane
C26H22FeO     相似度:60%
Canadian Journal of Chemistry          2005          83          2140-2143
A rapid, microwave-assisted, one-pot cyclopropanation reaction to synthesize (4-ferrocenyl)benzoylcyclopropane in the solid state
Juxing Yin, Xiaolong Li, Xiaoli Wu, Baohua Chen, Zenglu Liu, and Qingbao Song
Structure      13C NMR   碳谱模拟图
6 .     N-[4-(2-fluoro-5-nitrophenyl)-butyl]benzylamine
C17H19FN2O2     相似度:60%
Journal of Heterocyclic Chemistry          2008          45          551-557
Benzo-fused heterocycles and carbocycles by intramolecular SNAr and tandem SN2-SNAr reactions
Richard A. Bunce,Takahiro Nago,Nathan Sonobe and Legrande M. Slaughter
Structure      13C NMR   碳谱模拟图
7 .     2,6-diethyl-3-methylquinoline
C14H17N     相似度:60%
Journal of Heterocyclic Chemistry          2000          37          1315-1320
Ruthenium-Catalyzed synthesis of quinolines from anilines and N-allylic compounds by cascade amine exchange reaction-heteroannulation
Chan Sik Cho, Byoung Ho Oh, Sang Chul Shim and Dae Hee Oh
Structure      13C NMR   碳谱模拟图
8 .     compound 3b
C15H16Cl2O3     相似度:60%
Tetrahedron Letters          2005          46          8885-8888
Novel protocol for the generation of β-branched Baylis-Hillman adducts from ethyl sorbate and aryl aldehydes
Palakodety Radha Krishna, M. Narsingam, P. Srinivas Reddy, G. Srinivasulu, A.C. Kunwar
Structure      13C NMR   碳谱模拟图
9 .     1-(3-乙基苯基)-1,2-乙二醇
    相似度:60%
Journal of Shenyang Pharmaceutical University          2006          23          274-276
Studies on the constituents from the stems of Opuntia dillenii
QIU Ying-kun, DOU De-qiang, XU Bi-xia, PEI Yu-ping
Structure      13C NMR   碳谱模拟图
10 .     3-Phenethyl-benzothiophene-2-carbaldehyde
C17H14OS     相似度:60%
Archiv der Pharmazie          1997          330          107-108
New Benzothiophene Compounds Related to Propafenone
Bernard Unterhalt and Lucas Rems
Structure      13C NMR   碳谱模拟图
11 .     compound 5i
C20H19F3     相似度:60%
European Journal of Organic Chemistry          2012                   2643-2655
A Joint Experimental and Computational Investigation on Homoconjugated Push-Pull Chromophores Derived from 7,7-Diphenylnorbornane
Noelia Herrero-García, María del Rosario Colorado Heras, María del Rosario Torres, Israel Fernández and José Osío Barcina
Structure      13C NMR   碳谱模拟图
12 .     5-methyl-3-phenethyl-5-phenyl-4,5-dihydroisoxazole
C18H19NO     相似度:60%
Bioorganic & Medicinal Chemistry          2010          18          3437-3447
Synthesis and biological evaluation of phenolic 4, 5-dihydroisoxazoles and 3-hydroxy ketones as estrogen receptor α and β agonists
Pekka K. Poutiainen, Tuomas A. Venäläinen, Mikael Peräkylä, Juha M. Matilainen, Sami Väisänen, Paavo Honkakoski, Reino Laatikainen, Juha T. Pulkkinen
Structure      13C NMR   碳谱模拟图
13 .     indan-1-one N-phenylthiosemicarbazone
C16H15N3S     相似度:60%
Bioorganic & Medicinal Chemistry          2011          19          6818-6826
Thiosemicarbazones derived from 1-indanones as new anti-Trypanosoma cruzi agents
María E. Caputto, Lucas E. Fabian, Diego Benítez, Alicia Merlino, Natalia Ríos, Hugo Cerecetto, Graciela Y. Moltrasio, Albertina G. Moglioni, Mercedes González, Liliana M. Finkielsztein
Structure      13C NMR   碳谱模拟图
14 .     (1E,3E)-1,4-bis(4-tert-butoxycarbonyl-1-naphthyl)-2,3-dinitro-1,3-butadiene
C34H32N2O8     相似度:60%
Bioorganic & Medicinal Chemistry          2008          16          240-247
Design, synthesis, and in vitro evaluation of new naphthylnitrobutadienes with potential antiproliferative activity: Toward a structure/activity correlation
Giovanni Petrillo, Maria A. Mariggiò, Cinzia Aiello, Cinzia Cordazzo, Carla Fenoglio, Stefano Morganti, Michela Croce, Egon Rizzato, Domenico Spinelli, Massimo Maccagno, Lara Bianchi, Claudia Prevosto, Cinzia Tavani, Maurizio Viale
Structure      13C NMR   碳谱模拟图
15 .     4-methyl-N-(10-methyl-anthracen-9-ylmethylene)-benzenesulfonamide
C23H19NO2S     相似度:60%
Tetrahedron          2012          68          3283-3287
Synthesis of dizocilpine
Meng-Yang Chang, Yu-Ping Huang, Tein-Wei Lee, Yeh-Long Chen
Structure      13C NMR   碳谱模拟图
16 .     3-(4-ethylphenyl)-1-methyl-5-phenyl-4,5-dihydro-1H-pyrazol
C18H20N2     相似度:60%
European Journal of Organic Chemistry          2011                   4919-4924
A Straightforward Synthesis of Pyrazolines and Pyrazoles: Palladium-Catalyzed Carbonylative Vinylation–Cyclocondensation Reactions of Aryl Halides
Xiao-Feng Wu, Helfried Neumann and Matthias Beller
Structure      13C NMR   碳谱模拟图
17 .     2-ethyl-6-methylphenyl phenyl sulfide
C15H16S     相似度:60%
European Journal of Organic Chemistry          2011                   1776-1781
An Efficient Copper-Catalyzed Cross-Coupling Reaction of Thiols with Aryl Iodides
Hsin-Lun Kao, Chin-Keng Chen, Yu-Jen Wang and Chin-Fa Lee
Structure      13C NMR   碳谱模拟图
18 .     methyl 5-phenyl-N-(phenylsulfonyl)-2-(trifluoromethyl)norvalinate
C18H18F3NO4S     相似度:60%
European Journal of Organic Chemistry          2010                   1587-1592
Synthesis of α-Alkynyl-β,β,β-trifluoroalanine Derivatives by Sonogashira Cross-Coupling Reaction
Grigorii T. Shchetnikov, Maria A. Zotova, Christian Bruneau, Pierre H. Dixneuf and Sergey N. Osipov
Structure      13C NMR   碳谱模拟图
19 .     2-[2,2-dimethyl-1-(4-trifluoromethylphenyl)propylidenamino]-2-phenylpropionamide
C21H23F3N2O     相似度:60%
European Journal of Organic Chemistry          2010                   882-889
New Stable N-H Oxaziridines – Synthesis and Reactivity
Sylvain Blanc, Céline A. C. Bordogna, Benjamin R. Buckley, Mark R. J. Elsegood and Philip C. Bulman Page
Structure      13C NMR   碳谱模拟图
20 .     1-benzyl-1,2-dihydro-2,2,4-trimethylquinoline
C19H21N     相似度:60%
Journal of Medicinal Chemistry          2010          53          966-982
Antitrypanosomal Activity of 1,2-Dihydroquinolin-6-ols and Their Ester Derivatives
Jean Fotie, Marcel Kaiser, Dawn A. Delfín, Joshua Manley, Carolyn S. Reid, Jean-Marc Paris, Tanja Wenzler, Louis Maes, Kiran V. Mahasenan, Chenglong Li and Karl A. Werbovetz
Structure      13C NMR   碳谱模拟图
21 .     4-phenyl-7-ethyl-1,2,3,4-tetrahydronaphth-1-one oxime
C18H19NO     相似度:60%
Journal of Medicinal Chemistry          1994          37          3789-3811
5-Phenyl-3-ureidobenzazepin-2-ones as Cholecystokinin-B Receptor Antagonists
John A. Lowe III, David L. Hageman, Susan E. Drozda, Stafford McLean, Dianne K. Bryce, Rosemary T. Crawford, Stevin Zorn, Jean Morrone, Jon Bordner
Structure      13C NMR   碳谱模拟图
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