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swaucq

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[求助] 微谱求助化合物解谱

8.50,12.51,17.87,23.96,74.56,76.53,99.51,100.36,125.24,126.47,132.16,145.30,160.31,167.73
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wangkaibo123

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【答案】应助回帖

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swaucq: 金币+20, ★★★★★最佳答案 2013-09-14 22:31:44
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9个化合物(查询结果仅供参考)
1 .     pestalotiopsol B acetonide
    相似度:57.1%
Phytochemistry          1997          46          313-319
Metabolites of Pestalotiopsis spp., endophytic fungi of Taxus brevifolia
Maurizio Pulici, Fumio Sugawara, Hiroyuki Koshino, Gen Okada, Yasuaki Esumi, Jun Uzawa, Shigeo Yoshida
Structure      13C NMR   碳谱模拟图
2 .     linalyl β-D-glucopyranoside
    相似度:50%
Phytochemistry          1994          37          543-546
A phenylpropanoid glucoside from Perilla frutescens
Tomoyuki Fujita, Atsunori Funayoshi, Mitsuru Nakayama
Structure      13C NMR   碳谱模拟图
3 .     methyl (E)-3-[1-(1-methyl-1H-imidazol-2-yl)butoxy]-2-propenoate
C12H18N2O3     相似度:50%
European Journal of Organic Chemistry          2010                   1772-1777
C2-Functionalization of 1-Substituted Imidazoles with Aldehydes and Electron-Deficient Acetylenes: A Novel Three-Component Reaction
Boris A. Trofimov, Ludmila V. Andriyankova, Kseniya V. Belyaeva, Anastasiya G. Mal'kina, Lina P. Nikitina, Andrei V. Afonin and Igor' A. Ushakov
Structure      13C NMR   碳谱模拟图
4 .     (±)-ethyl (E)-3-(1-phenylhept-2-ynyloxy)acrylate
C18H22O3     相似度:50%
European Journal of Organic Chemistry          2010                   6582-6587
Microwave-Assisted Diversity-Oriented Domino Synthesis of Functionalized Nicotinic Acid Derivatives
David Tejedor, Gabriela Méndez-Abt and Fernando García-Tellado
Structure      13C NMR   碳谱模拟图
5 .     1-phenyl-5-propoxybenzimidazole hydrochloride
C16H16N2O     相似度:50%
Journal of Medicinal Chemistry          1999          42          2373-2382
Structure−Activity Relationships for 5-Substituted 1-Phenylbenzimidazoles as Selective Inhibitors of the Platelet-Derived Growth Factor Receptor
Brian D. Palmer, Alan J. Kraker, Brian G. Hartl, Athanasia D. Panopoulos, Robert L. Panek, Brian L. Batley, Gina H. Lu, Susanne Trumpp-Kallmeyer, H. D. Hollis Showalter, and William A. Denny
Structure      13C NMR   碳谱模拟图
6 .     6,11-dihydro-6-ethyl-7-methyl-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one
C15H15N3O     相似度:50%
Journal of Medicinal Chemistry          1991          34          2231-2241
Novel non-nucleoside inhibitors of HIV-1 reverse transcriptase. 1. Tricyclic pyridobenzo- and dipyridodiazepinones
Karl D. Hargrave, John R. Proudfoot, Karl G. Grozinger, Ernest Cullen, Suresh R. Kapadia, Usha R. Patel, Victor U. Fuchs, Scott C. Mauldin, Jana Vitous,
Structure      13C NMR   碳谱模拟图
7 .     4-[3-(β-D-glucopyranosyloxy)-5-isopropyl-1H-pyrazol-4-ylmethyl]benzamide
C20H27N3O7     相似度:50%
Bioorganic & Medicinal Chemistry          2013          21          748-765
Design, synthesis, and structure–activity relationships of a series of 4-benzyl-5-isopropyl-1H-pyrazol-3-yl β-d-glycopyranosides substituted with novel hydrophilic groups as highly potent inhibitors of sodium glucose co-transporter 1 (SGLT1)
Nobuhiko Fushimi, Hirotaka Teranishi, Kazuo Shimizu, Shigeru Yonekubo, Kohsuke Ohno, Takashi Miyagi, Fumiaki Itoh, Toshihide Shibazaki, Masaki Tomae, Yukiko Ishikawa-Takemura, Takeshi Nakabayashi, Noboru Kamada, Yuji Yamauchi, Susumu Kobayashi, Masayuki I
Structure      13C NMR   碳谱模拟图
8 .     5-(4-propylphenyl)thieno[2,3-c]pyridin-7(6H)-one
C16H15NOS     相似度:50%
Tetrahedron          2013          69          3167-3181
Efficient synthesis of novel thieno[3,2-b]-, [2,3-c]- and [3,2-c]pyridones by Sonogashira coupling of bromothiophenes with terminal alkynes and subsequent intramolecular C–N bond-forming reaction
Viktor O. Iaroshenko, Sajid Ali, Tariq Mahmood Babar, Muhammad S.A. Abbasi, Vyacheslav Ya Sosnovskikh, Alexander Villinger, Andrey Tolmachev, Peter Langer
Structure      13C NMR   碳谱模拟图
9 .     Badounoid A
C14H20O3     相似度:50%
Natural Products and Bioprospecting          2011          1          134-137
Norsesquiterpenoids from the leaves of Croton tiglium
Wei Bu, Yan-Ni Shi, Yong-Ming Yan, Qing Lu, Guang-Ming Liu, Yan Li, Yong-Xian Cheng
Structure      13C NMR   碳谱模拟图
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