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Rervia

金虫 (正式写手)

[求助] 微谱求助,谢谢!

13C NMR (151 MHz, cd3od) δ23.04,64.02, 72.89,83.00, 125.14,129.44, 137.33, 149.45,152.83,170.99,  172.41
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笑多会怀孕

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Rervia(辣笔v小新代发): 金币+10, 鼓励应助交流,代发奖励 2015-05-02 16:08:05
引用回帖:
3楼: Originally posted by Rervia at 2015-04-29 12:39:30
23.04, 64.02, 72.89, 83.00, 125.14, 129.44, 137.33, 149.45, 152.83, 170.99, 172.41
...

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%)
碳谱库:   Nat Syn


查询结果:共查到15个化合物(查询结果仅供参考)
1 .     (L)-2-Acetamido-3-(5-hydroxypyridin-2-yl)propanoic acid
    相似度:54.5%
Bioorganic & Medicinal Chemistry Letters          1996          6          2613-2616
A concise synthesis of either enantiomer of azatyrosine
Margaret S. Cooper, Alison W. Seton, Malcolm F. G. Stevens, Andrew D. Westwell
Structure      13C NMR   碳谱模拟图
2 .     Compound 3c
    相似度:54.5%
Magnetic Resonance in Chemistry          2007          45          667-673
1H, 13C, 15N and 19F NMR study of acetylation products of heterocyclic thiosemicarbazones (pages 667–673)
Lyudmila I. Larina, Valentina N. Elokhina, Tatyana I. Yaroshenko, Anatolii S. Nakhmanovich and Gennadii V. Dolgushin
Structure      13C NMR   碳谱模拟图
3 .     Lissoclinolide
    相似度:54.5%
Tetrahedron Letters          1998          39          7799-7802
Stereocontrolled synthesis of lissoclinolide by sequential transition metal-catalyzed lactonization/cross-coupling reactions
Renzo Rossi, Fabio Bellina, Matteo Biagetti, Luisa Mannina
Structure      13C NMR   碳谱模拟图
4 .     2-(1-chloro-1-propenyl)-4,5-dihydroxycyclopent-2-enone
C8H10O3     相似度:54.5%
The Journal of Antibiotics          2001          54          679-681
New Bioactive Cyclopentenone Derivatives as Inhibitors of the IL-6 Dependent Signal Transduction
MARCUS WEIDLER,JAN RETHER,TIMM ANKE,GERHARD ERKEL and OLOV STERNER
Structure      13C NMR   碳谱模拟图
5 .     1,3-diacetoxy-2-acetoxymethyl-2-(3-nitrobenzylideneamino)propane
C17H20N2O8     相似度:54.5%
European Journal of Organic Chemistry          2010                   5263-5273
An Anomeric Effect Drives the Regiospecific Ring-Opening of 1,3-Oxazolidines under Acetylating Conditions
R. Fernando Martínez, Martín ávalos, Reyes Babiano, Pedro Cintas, José L. Jiménez, Mark E. Light, Juan C. Palacios and Esther M. S. Pérez
Structure      13C NMR   碳谱模拟图
6 .     4-(1-hydroxy-1-methylethyl)cyclohexa-1,3-dienecarboxylic acid methyl ester
    相似度:54.5%
Journal of Agricultural and Food Chemistry          2013          61          1747-1755
Characterization of Markers of Botanical Origin and Other Compounds Extracted from Unifloral Honeys
Elisabetta Schievano, Elisa Morelato, Chiara Facchin, and Stefano Mammi
Structure      13C NMR   碳谱模拟图
7 .     threo-4-Hvdroxyphenylpropan-7,8-diol 7-O-ethyl ether diacetate
C15H20O5     相似度:53.8%
Phytochemistry          1996          42          1191-1193
4-hydroxyphenylpropan-7,8-diols and derivatives from Narvalina domingensis
Basma A. A. A. Balboul, Ahmed A. Ahmed, Hideaki Otsuka, Alicia de Adams
Structure      13C NMR   碳谱模拟图
8 .     3-phenyl-1,3-dihydro-1-isobenzofuranone
C14H10O2     相似度:50%
Tetrahedron          2003          59          2083-2092
Dibenzothiepins, phthalans and phthalides from 4-heterosubstituted dibenzothiins
Miguel Yus, Francisco Foubelo, José V Ferrández
Structure      13C NMR   碳谱模拟图
9 .     compound 25
C16H16N2O7S     相似度:50%
Journal of the American Chemical Society          2007          129          15830-15838
Structural and Initial Biological Analysis of Synthetic Arylomycin A2
Tucker C. Roberts, Peter A. Smith, Ryan T. Cirz, and Floyd E. Romesberg
Structure      13C NMR   碳谱模拟图
10 .     1-tert-butoxycarbonyl-3-methyl-3-phenylselenyl-2-pyrrolidinone
C16H21NO3Se     相似度:50%
The Journal of Organic Chemistry          2001          66          8287-8292
Total Synthesis of (+)-Ampullicin and (+)-Isoampullicin: Two Fungal Metabolites with Growth Regulatory Activity Isolated from Ampulliferina Sp. 27
Francisco A. Bermejo and Rosario Rico-Ferreira
Structure      13C NMR   碳谱模拟图
11 .     7-[(methanesulfonyl)acetylamino]-6-(mesyloxy)-4-methyl-5-nitroquinoline
C14H15N3O8S2     相似度:50%
The Journal of Organic Chemistry          1997          62          568-577
Synthesis of Pyrrolo[4,3,2-de]quinolines from 6,7-Dimethoxy-4-methylquinoline. Formal Total Syntheses of Damirones A and B, Batzelline C, Isobatzelline C, Discorhabdin C, and Makaluvamines A-D
David Roberts and John A. Joule
Structure      13C NMR   碳谱模拟图
12 .     4-羟基-3-丁基-苯酞
    相似度:50%
Journal of Chinese Medicinal Materials          2011          34          1553-1555
Research on Chemical Constituents of Xuefu Zhuyu Decoction
YIN Ai-wu, HUANG Sai-jin
Structure      13C NMR   碳谱模拟图
13 .     2-Bromoethyl (coumarin-3-yl)carbamate
C12H10BrNO4     相似度:50%
European Journal of Medicinal Chemistry          2013          63          151-161
Novel (coumarin-3-yl)carbamates as selective MAO-B inhibitors: Synthesis, in vitro and in vivo assays, theoretical evaluation of ADME properties and docking study
Maria J. Matos, Santiago Vilar, Rosa Ma Gonzalez-Franco, Eugenio Uriarte, Lourdes Santana, Carol Friedman, Nicholas P. Tatonetti, Dolores Viña, Jose A. Fontenla
Structure      13C NMR   碳谱模拟图
14 .     {2-[(E)-(2-Benzoylhydrazinylidene)methyl]phenyl}boronic acid
    相似度:50%
Chemistry & Biodiversity          2014          11          1381-1397
Synthesis, Characterization, and Antibacterial Activity of Structurally Complex 2-Acylated 2,3,1-Benzodiazaborines and Related Compounds (pages 1381–1397)
Divya Kanichar, Lance Roppiyakuda, Ewa Kosmowska, Michelle A. Faust, Kim P. Tran, Felicia Chow, Elena Buglo, Michael P. Groziak, Evan A. Sarina, Marilyn M. Olmstead, Isba Silva and H. Howard Xu
Structure      13C NMR   碳谱模拟图
15 .     Aspergillusol B
C12H12O5     相似度:50%
Journal of Natural Products          2014          77          2375-2382
γ-Butyrolactone, Cytochalasin, Cyclic Carbonate, Eutypinic Acid, and Phenalenone Derivatives from the Soil Fungus Aspergillus sp. PSU-RSPG185
Vatcharin Rukachaisirikul, Nachamon Rungsaiwattana, Saranyoo Klaiklay, Souwalak Phongpaichit, Kawitsara Borwornwiriyapan, and Jariya Sakayaroj
Structure      13C NMR   碳谱模拟图
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5楼2015-04-29 17:18:59
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Rervia

金虫 (正式写手)

引用回帖:
2楼: Originally posted by 笑多会怀孕 at 2015-04-29 12:30:19
格式不对

23.04, 64.02, 72.89, 83.00, 125.14, 129.44, 137.33, 149.45, 152.83, 170.99, 172.41
海阔凭鱼跃,天高任鸟飞
3楼2015-04-29 12:39:30
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Rervia

金虫 (正式写手)

更改一下格式,谢谢啦
151MHz, 甲醇做的谱
23.04, 64.02, 72.89, 83.00, 125.14, 129.44, 137.33, 149.45, 152.83, 170.99, 172.41
海阔凭鱼跃,天高任鸟飞
4楼2015-04-29 13:19:08
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