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方小平

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[求助] 微谱求助(307-75a) 已有1人参与

13C NMR (126 MHz, MeOD) δ 30.31,61.34, 110.87, 141.16,170.60, 176.68.
相似度要求>60%
溶剂:氘代甲醇
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wangkaibo123

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【答案】应助回帖

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感谢参与,应助指数 +1
方小平: 金币+10, ★★★★★最佳答案 2014-09-04 19:35:01
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35个化合物(查询结果仅供参考)
1 .     5-hydroxymethylfuran-3-carboxylic acid
C6H6O4     相似度:83.3%
Phytochemistry          2002          61          25-30
Identification of the major glucosinolate (4-mercaptobutyl glucosinolate) in leaves of Eruca sativa L. (salad rocket)
Richard N. Bennett, Fred A. Mellon, Nigel P. Botting, John Eagles,Eduardo A.S. Rosa, Gary Williamson
Structure      13C NMR   碳谱模拟图
2 .     Flufuran
C6H6O4     相似度:83.3%
Chemistry & Biodiversity          2009          6          328-334
Flufuran, an Antifungal 3,5-Disubstituted Furan Produced by Aspergillus flavus Link
Antonio Evidente, Gennaro Cristinzio, Biancavaleria Punzo, Anna Andolfi, Antonino Testa, and Dominique Melck
Structure      13C NMR   碳谱模拟图
3 .     2-hydroxymethyl-5-hydroxy-γ-pyrone
    相似度:83.3%
Chinese Traditional and Herbal Drugs          2010          41          1787-1790
毛酸浆宿萼的化学成分研究
张辉;陈重;李夏;李笑然;许琼明;杨世林
Structure      13C NMR   碳谱模拟图
4 .     Methyl 5-(Hydroxymethyl)furan-3-carboxylate
    相似度:71.4%
Chemistry & Biodiversity          2009          6          328-334
Flufuran, an Antifungal 3,5-Disubstituted Furan Produced by Aspergillus flavus Link
Antonio Evidente, Gennaro Cristinzio, Biancavaleria Punzo, Anna Andolfi, Antonino Testa, and Dominique Melck
Structure      13C NMR   碳谱模拟图
5 .     bergenin
C8H8O5     相似度:66.6%
Phytochemistry          1989          28          1289-1290
A bacterial cleavage of the C-glucosyl bond of mangiferin and bergenin
Masao Hattori,Yue-Zhong Shu,Tsuyoshi Tomimori,Kyoichi Kobashi,Tsuneo Namba
Structure      13C NMR   碳谱模拟图
6 .     gallic acid
    相似度:50%
Helvetica Chimica Acta          2004          Vol. 87          758
Chemical Constituents from the Pericarp of Trewia nudiflora
Zhi-Zhi Du, Hong-Ping He, Bin Wu, Yue-Mao Shen, and Xiao-Jiang Hao
Structure      13C NMR   碳谱模拟图
7 .     trans-3-methylsulfonyl-2-propenol(1a)
C6H11O4S     相似度:50%
Chemical & Pharmaceutical Bulletin          2003          51(12)          1423-1425
Sulfur-Containing Compounds from Clinacanthus siamensis
Pittaya TUNTIWACHWUTTIKUL,Yupa POOTAENG-ON,a Pootchana PANSA, Thongchai SRISANPANG,and Walter Charles TAYLOR
Structure      13C NMR   碳谱模拟图
8 .     曲酸
C5H8N2O2     相似度:50%
Chinese Journal of Marine Drugs          2005          24(2)          9-12
Studies on the chemical constituents of the fermentation liquid from marine bacterium Bacillus sp.
ZHANG Hai-long, FU Hong-wei, TIAN Li, HUA Hui-ming, PEI Yue-hu
Structure      13C NMR   碳谱模拟图
9 .     (S)-α-Methylaspartic Acid
C5H9NO4     相似度:50%
The Journal of Organic Chemistry          2011          76          1621-1633
Asymmetric Synthesis of r-Methyl-r-Amino Acids via Diastereoselective Alkylation of (1S)-(+)-3-Carene Derived Tricyclic Iminolactone
Ta-Jung Lu and Cheng-Kun Lin
Structure      13C NMR   碳谱模拟图
10 .     3,3'-(4-Hydroxypyridine-2,6-diyl)dipropanoic Acid Hydrochloride
C11H14ClNO5     相似度:50%
Helvetica Chimica Acta          2012          95          197-210
Trinuclear Non-Heme Iron Complexes Based on 4-Substituted 2,6-Diacylpyridine Ligands as Catalysts in Aerobic Allylic Oxidations
Volker Rabe, Wolfgang Frey, Angelika Baro, and Sabine Laschat
Structure      13C NMR   碳谱模拟图
11 .     dimethyl 2-cyanomalonate(enol-form)
C6H7NO4     相似度:50%
Heterocycles          2003          59          161-167
3-Cyano-2-(N-cyanoimino)thiazolidine (3-cyano-NCT): An Efficient Electrophilic Cyanating Agent for Activated Methylene Compounds
Naoyoshi Maezaki, Akemi Furusawa, Shuji Uchida, and Tetsuaki Tanaka*
Structure      13C NMR   碳谱模拟图
12 .     N-[α-Ethylbenzyl]-N'-[2-(thiazo-lyl)]thiourea
    相似度:50%
Bioorganic & Medicinal Chemistry Letters          2001          11          523-528
Anti-HIV activity of aromatic and heterocyclic Thiazolyl Thiourea compounds
T. K. Venkatachalam, Elise A. Sudbeck, Chen Mao, Fatih M. Uckun
Structure      13C NMR   碳谱模拟图
13 .     4-Azido-5-hydroxypipecolate
C6H10N4O3     相似度:50%
Bioorganic & Medicinal Chemistry Letters          1998          8          739-744
Epoxide derivatives of pipecolic acid and proline are inhibitors of pipecolate oxidase
Bin Ho, T. Mark Zabriskie
Structure      13C NMR   碳谱模拟图
14 .     compound 4u
    相似度:50%
Tetrahedron Letters          2002          43          3203-3207
Chemical versus enzymatic acetylation of α-bromo-ω-hydroxyaldehydes: decyclization of hemiacetals by lipase
Ly Villo, Andrus Metsala, Omar Parve, Tõnis Pehk
Structure      13C NMR   碳谱模拟图
15 .     compound 5a
    相似度:50%
Tetrahedron Letters          2003          44          3101-3104
The tricyclo[2.1.0.02,5]pentan-3-one system: a new probe for the study of π-facial selectivity in nucleophilic additions
Goverdhan Mehta, S.Robindro Singh, U.Deva Priyakumar, G.Narahari Sastry
Structure      13C NMR   碳谱模拟图
16 .     compound 5
C14H22N2O3     相似度:50%
Tetrahedron Letters          2003          44          9213-9217
Synthesis of new conformationally rigid paramagnetic α-amino acids
Mária Balog, Tamás Kálai, József Jekő, Zoltán Berente, Heinz-Jürgen Steinhoff, Martin Engelhard, Kálmán Hideg
Structure      13C NMR   碳谱模拟图
Domyallbesttohaveahappylife.
2楼2014-09-04 18:35:35
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方小平

金虫 (小有名气)

引用回帖:
2楼: Originally posted by wangkaibo123 at 2014-09-04 18:35:35
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 ...

亲,碳谱数据重新输入了么?怎么看着和我提供的碳谱数据相差有点大呢?
3楼2014-09-04 19:05:31
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

wangkaibo123

荣誉版主 (职业作家)

kerry

优秀版主

引用回帖:
3楼: Originally posted by 方小平 at 2014-09-04 19:05:31
亲,碳谱数据重新输入了么?怎么看着和我提供的碳谱数据相差有点大呢?...

没问题,83 已经很高了
Domyallbesttohaveahappylife.
4楼2014-09-04 19:23:29
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