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kun_niu

铜虫 (正式写手)

[求助] 求助微谱数据查询

61;116.9;126.2;132.3;142.3;143.1;163.1;172.3 量太少,有些峰未出,谢谢
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行板如歌

金虫 (小有名气)

【答案】应助回帖

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感谢参与,应助指数 +1
kun_niu: 金币+5, ★★★★★最佳答案, 谢谢 2012-11-29 17:30:52
xiaoxiao270: 金币+4 2012-11-29 17:47:12
1 .     N-acetylnicotinamide 1-oxide
C8H8N2O3     相似度:62.5%
Chemical & Pharmaceutical Bulletin          1987          35          4068-4077
The Mechanism of the Reaction of Nicotinic Acid 1-Oxide with Acetic Anhydride
HIROYUKI NAGANO,YOSHIHARU NAWATA and MASATOMO HAMANA
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

2 .     2-(6-nitrothiazolo[5,4-b]pyridin-2-yl)acetonitrile
    相似度:62.5%
Journal of Heterocyclic Chemistry          2009          46          1125-1131
A single-step preparation of thiazolo[5,4-b]pyridine-and thiazolo[5,4-c]pyridine derivatives from chloronitropyridines and thioamides,or thioureas
Kiran P. Sahasrabudhe,M. Angels Estiarte,Darlene Tan,Sheila Zipfel,Matthew Cox,Donogh J. R. O'Mahony,William T. Edwards and Matthew A. J. Duncton
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

3 .     3-methoxy-6-(trimethylsilylethynyl)pyridazine
C10H14N2OSi     相似度:62.5%
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
--------------------------------------------------------------------------------

4 .     compound 3r
C12H7F3S     相似度:62.5%
Tetrahedron          2012          68          4233-4241
Regioselective C–S bond formation accomplished by copper-catalyzed regioselective C–F substitution of perfluoroarenes with aryl thioacetates or benzyl thioacetate Original Research Article
Qizhong Zhou, Bin Zhang, Tieqi Du, Haining Gu, Huajiang Jiang, Rener Chen
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

5 .     4-amino-6-iodo-2(1H)-quinazolinone
C8H6IN3O     相似度:62.5%
Archiv der Pharmazie          2011          344          810-820
Synthesis, Molecular Modelling and Biological Evaluation of 4-Amino-2(1H)-quinazolinone and 2,4(1H,3H)-Quinazolidone Derivatives as Antitumor Agents (pages 810–820)
Stephanie Richter and Barbara Gioffreda
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

6 .     cis-p-coumaric acid ethyl ester
    相似度:55.5%
Phytochemistry          1996          42          81-87
4'-O-β-D-glucosyl-cis-p-coumaric acid—a natural constituent of Sphagnum fallax cultivated in bioreactors
Susanne Rasmussen, Christian Wolff, Hansjörg Rudolph
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

7 .     2-(tert-butylsulfonylmethyl)-6-nitrothiazolo[5,4-b]pyridine
    相似度:55.5%
Journal of Heterocyclic Chemistry          2009          46          1125-1131
A single-step preparation of thiazolo[5,4-b]pyridine-and thiazolo[5,4-c]pyridine derivatives from chloronitropyridines and thioamides,or thioureas
Kiran P. Sahasrabudhe,M. Angels Estiarte,Darlene Tan,Sheila Zipfel,Matthew Cox,Donogh J. R. O'Mahony,William T. Edwards and Matthew A. J. Duncton
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

8 .     [5-amino-1-(4-chlorophenyl)-1H-imidazol-4-yl]iminoacetonitrile
C11H8N5Cl     相似度:55.5%
Heterocycles          2009          78          2951-2962
Synthesis of 6-Substituted Purine Derivatives
Amal Al-Azmi and K. Anita Kumari
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

9 .     4-chloro-2-methyl-1,7-naphthyridine
C9H7ClN2     相似度:55.5%
Bioorganic & Medicinal Chemistry          2010          18          5995-6005
Synthesis of aryl-heteroaryl ureas (AHUs) based on 4-aminoquinoline and their evaluation against the insulin-like growth factor receptor (IGF-1R)
William Engen, Terrence E. O’Brien, Brendan Kelly, Jacinda Do, Liezel Rillera, Lance K. Stapleton, Jack F. Youngren, Marc O. Anderson
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

10 .     5-(4-Fluorophenyl)-7H,8H-pyrimido[1,6-b]pyridazin-6,8-dione
C13H8N3O2F     相似度:54.5%
Molecules          2007          12          2643-2657
Synthesis of a New Scaffold: the 7H, 8H-Pyrimido[1, 6-b]pyridazin-6, 8-dione Nucleus
Franciszek Herold, Małgorzata Kałucka, Marek Król, Joanna Herold, Jerzy Kleps and Jadwiga Turło
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

11 .     4-Ethoxycarbonylmethyl-3,5-dimethylpyrrole-2-carboxylic acid
C11H15NO4     相似度:54.5%
Bioorganic & Medicinal Chemistry          2011          19          1264-1267
Synthesis, anticancer activity, and iron affinity of the Actinoplanes metabolite 7,8-dihydroxy-1-methylnaphtho[2,3-c]furan-4,9-dione
Sandra Breyer, Katharina Effenberger-Neidnicht, Sebastian Knauer, Rainer Schobert
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

12 .     1-(Prop-2-en-1-yl)-1H-indole-2,3-dione 3-Oxime
C11H10N2O2     相似度:54.5%
Helvetica Chimica Acta          2010          93          2454-2466
Microwave-Assisted Three-Component Synthesis of Some Novel 1-Alkyl-1H-indole-2,3-dione 3-(O-Alkyl­oxime) Derivatives as Potential Chemotherapeutic Agents
Mohammad Navid Soltani Rad, Ali Khalafi-Nezhad, Somayeh Babamohammadi and Somayeh Behrouz
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

13 .     2,3-dibromo-4,5-dihydroxyphenylethanol
C8H8Br2O3     相似度:50%
Journal of Natural Products          2006          69(2)          206-210
Bromophenols Coupled with Methyl γ-Ureidobutyrate and Bromophenol Sulfates from the Red Alga Rhodomela confervoides
Ming Ma, Jielu Zhao, Sujuan Wang, Shuai Li, Yongchun Yang, Jiangong Shi, Xiao Fan, and Lan He
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

14 .     3-bromo-5-hydroxy-4-methoxyphenylacetic acid methyl ester
C10H11O4Br     相似度:50%
Journal of Natural Products          2004          67          1032-1035
Bromophenol Derivatives from the Red Alga Rhodomela confervoides
Jielu Zhao, Xiao Fan, Sujuan Wang, Shuai Li, Suqin Shang, Yongchun Yang, Nianjun Xu, Yang L, and Jiangong Shi
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

15 .     3-bromo-5-hydroxy-4-methoxybenzoic acid
    相似度:50%
Journal of Natural Products          2004          67          1032-1035
Bromophenol Derivatives from the Red Alga Rhodomela confervoides
Jielu Zhao, Xiao Fan, Sujuan Wang, Shuai Li, Suqin Shang, Yongchun Yang, Nianjun Xu, Yang L, and Jiangong Shi
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

16 .     5-[3-(aminocarbonyl)-4-hydroxybenzyl]-2-hydroxybenzamide
    相似度:50%
Chinese Chemical Letters          2007          18          1213-1217
Zirconyl chloride promoted highly efficient solid phase synthesis of amide derivatives
Cherkupally sanjeeva Reddy,Adki Nagaraj,Pochampally Jalapathi
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

17 .     2-cyanophenylisothiocyanate
C8H4Cl2N2     相似度:50%
Molecules          2000          5          189-194
Synthesis of N-(2-Cyanophenyl)chloromethanimidoyl Chloride
Pavel Pazdera, Hana Divišová, Helena Havlišová and Petr Borek
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

18 .     Diammonium 2,2'-azobis[p-(2-methylpropanoyloxymethyl)benzenesulfonate]
C22H32N4O10S2     相似度:50%
Molecules          2000          5          730-736
Synthesis and Characterization of New Surface Active Azo Initiators for Radical Reactions
Milos Sedlak1 and Klaus Tauer2
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

19 .     cis-p-methoxycinnamic acid
    相似度:50%
Phytochemistry          1996          42          81-87
4'-O-β-D-glucosyl-cis-p-coumaric acid—a natural constituent of Sphagnum fallax cultivated in bioreactors
Susanne Rasmussen, Christian Wolff, Hansjörg Rudolph
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

20 .     5-hydroxymethyl-3-phenylhydantoin
C10H10N2O3     相似度:50%
Chemical & Pharmaceutical Bulletin          2009          57          1415-1420
Preparation and Chemical Properties of 5-Dialkylaminomethylhydantoins and 2-Thio-Analogues
Fumiko Fujisaki, Kaori Shoji and Kunihiro Sumoto
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