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ailing2023

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[求助] 求微谱数据 感谢

1、溶剂:DMSO
数据:38.28,38.33,62.59,62.71,114.97,115.06,129.78,155.39,155.53

2、溶剂:DMSO
数据:21.85,29.25,44.50,69.96,109.66,120.56,124.13,137.13,142.82,144.34,169.34

[ Last edited by ailing2023 on 2013-11-7 at 14:32 ]
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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
ailing2023: 金币+30, ★★★★★最佳答案, 非常感谢! 2013-11-07 16:33:31
1

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24个化合物(查询结果仅供参考)
1 .     p-tyrosol
C8H10O2     相似度:66.6%
Natural Product Research and Development          1992          4(2)          23-28
STUDIES ON THE POLYPHENOL CONSTITUENTS OF RHODIOLA CRENULATA
Yu Wensheng; Chen Xinmin; Yang Lei; Li Hong; Li Yufei
Structure      13C NMR   碳谱模拟图
2 .     tyrosol
    相似度:55.5%
Natural Product Research          2004          18          29-32
Phenolic components of Olea Europaea – isolation of tyrosol derivatives
Armandodoriano Bianco; Cristiana Melchioni; Alessia Ramunno; Giovanni Romeo; Nicola Uccella
Structure      13C NMR   碳谱模拟图
3 .     2-(4-hydroxyphenyl)ethanol
    相似度:55.5%
Korean Journal of Pharmacognosy          2004          35(1)          80-87
The Chemical Structures and Their Antioxidant Activity of the Components Isolated from the Heartwood of Hemiptelea davidii
Chang, Bok-Sim; Kwon, Yong-Soo; Kim, Chang-Min
Structure      13C NMR   碳谱模拟图
4 .     tyrosol(酪醇)
    相似度:55.5%
Chinese Traditional and Herbal Drugs          2011          42(5)          848-851
Polyphenols from leaves of Olea europaea
WANG Xiao-fei, LI Chen ,ZHENG Yuan-yuan,DI Duo-long
Structure      13C NMR   碳谱模拟图
5 .     hydroxytyrosol(羟基酪醇)
    相似度:55.5%
Chinese Traditional and Herbal Drugs          2011          42(5)          848-851
Polyphenols from leaves of Olea europaea
WANG Xiao-fei, LI Chen ,ZHENG Yuan-yuan,DI Duo-long
Structure      13C NMR   碳谱模拟图
6 .     2,3-dihydrobenzofuran-5-ol
C8H8O2     相似度:55.5%
Zeitschrift für Naturforschung B          2008          63b          90-94
A Phenylethanoid Glycoside and Other Constituents from the Fruits of Forsythia koreana
Samy K. El-Desouky and Young-Kyoon Kim
Structure      13C NMR   碳谱模拟图
7 .     Hydroxytyrosol
C9H13NO3     相似度:55.5%
Archives of Pharmacal Research          2011          Vol 34, No 8          1289-1296
Phenolic Constituents of Acorus gramineus
Cheol Hyeong Park, Ki Hyun Kim, Il Kyun Lee, Seung Young Lee, Sang Un Choi, Jei Hyun Lee, and Kang Ro Lee
Structure      13C NMR   碳谱模拟图
8 .     Tyrosol
C9H13NO2     相似度:55.5%
Archives of Pharmacal Research          2011          Vol 34, No 8          1289-1296
Phenolic Constituents of Acorus gramineus
Cheol Hyeong Park, Ki Hyun Kim, Il Kyun Lee, Seung Young Lee, Sang Un Choi, Jei Hyun Lee, and Kang Ro Lee
Structure      13C NMR   碳谱模拟图
9 .     4-(2'-Hydroxyethyl)phenol
C8H10O2     相似度:55.5%
Chemistry of Natural Compounds          2011          Vol. 47, No. 3          494-495
METABOLITES FROM THE MARINE ACTINOBACTERIUM Streptomyces sp. KMM 7210
O. I. Zhuravleva, E. V. Leshchenko, Sh. Sh. Afiyatullov, M. P. Sobolevskaya, V. A. Denisenko, and L. S. Shevchenko
Structure      13C NMR   碳谱模拟图
10 .     cis-l-l-3,6-Bis-(4-hydroxybenzyl)-1,4-dimethylpiperazine-2,5-dione
C20H22N2O4     相似度:55.5%
Bioorganic & Medicinal Chemistry Letters          2001          11          2647-2649
Synthesis of a reported calpain inhibitor isolated from Streptomyces griseus
I. O. Donkor, M. Lee Sanders
Structure      13C NMR   碳谱模拟图
11 .     3,4-二羟基苯乙醇
    相似度:55.5%
Chinese Traditional and Herbal Drugs          2010          41          370-373
金莲花的化学成分研究
刘召阳;罗都强
Structure      13C NMR   碳谱模拟图
12 .     2-(4-Hydroxyphenyl)ethanol
    相似度:55.5%
Archives of Pharmacal Research          2009          32          1681-1687
Cytotoxic phenolic compounds from Chionanthus retusus
Jong Hwan Kwak, Min Woo Kang, Jong Hwa Roh, Sang Un Choi and Ok Pyo Zee
Structure      13C NMR   碳谱模拟图
13 .     Hydroxytyrosol
    相似度:55.5%
Archives of Pharmacal Research          2010          33          515-521
A new phenylpropane glycoside from the rhizome of Sparganium stoloniferum
Seung Young Lee, Sang Un Choi, Jei Hyun Lee, Dong Ung Lee and Kang Ro Lee
Structure      13C NMR   碳谱模拟图
14 .     tyrosol
    相似度:55.5%
Journal of Shenyang Pharmaceutical University          2011          28          120-123
Isolation and identification of chemical constituents from pine pollen
TANG Yu, ZHANG Yu, YUAN Jiu-zhi, MA Yue-ping
Structure      13C NMR   碳谱模拟图
15 .     2-(3',4'-dihydroxyphenyl)ethanol
    相似度:55.5%
Phytotherapy Research          2004          18          463-467
Antifungal constituents of Clytostoma ramentaceum and Mansoa hirsuta
Alessandra Duarte Rocha, Alaíde Braga de Oliveira, José Dias de Souza Filho, Júlio Antônio Lombardi and Fernão Castro Braga
Structure      13C NMR   碳谱模拟图
Domyallbesttohaveahappylife.
2楼2013-11-07 15:57:39
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wangkaibo123

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kerry

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【答案】应助回帖

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44个化合物(查询结果仅供参考)
1 .     4-acetylindole
    相似度:63.6%
Journal of Natural Products          2003          66          885-887
Concise Large-Scale Synthesis of Psilocin and Psilocybin, Principal Hallucinogenic Constituents of “Magic Mushroom”
Osamu Shirota,Wataru Hakamata, and Yukihiro Goda
Structure      13C NMR   碳谱模拟图
2 .     1-(4-methylphenyl)-1H-benzimidazole
    相似度:58.3%
European Journal of Organic Chemistry          2011                   3353-3360
Cross-Coupling Reactions of Aryl Halides with Amines, Phenols, and Thiols Catalyzed by an N,N′-Dioxide–Copper(I) Catalytic System
Haitao Yang, Chao Xi, Zhiwei Miao and Ruyu Chen
Structure      13C NMR   碳谱模拟图
3 .     5-acetoxylinalol
    相似度:58.3%
Flavour and Fragrance Journal          1995          10          297-311
Constituents of the absolute of Boronia megastigma Nees. from Tasmania
Peter Weyerstahl, Helga Marschall, Wolf-Rainer Bork, Reiner Rilk, Sabina Schneider and Hans-Christian Wahlburg
Structure      13C NMR   碳谱模拟图
4 .     7-Methoxy-4-oxo-3,4-dihydroquinazolin-6-yl acetate
    相似度:54.5%
Molecules          2006          11          286-297
Improved Synthesis of Substituted 6, 7-Dihydroxy-4-quinazolineamines: Tandutinib, Erlotinib and Gefitinib
Petr Knesl, Dirk Röseling and Ulrich Jordis
Structure      13C NMR   碳谱模拟图
5 .     1-((4,5-Dihydro-1H-imidazol-2-yl)methyl)-1H-benzimidazole
C11H14Cl2N4     相似度:54.5%
Bioorganic & Medicinal Chemistry          2012          20          108-116
Synthesis and biological activities of 2-[(heteroaryl)methyl]imidazolines
Jaroslaw Saczewski,Alan Hudson, Mika Scheinin,Apolonia Rybczynska, Daqing Ma,Franciszek Saczewski, Shayna Laird, Jonne M. Laurila, Konrad Boblewski,Artur Lehmann, Jianteng Gu, Helena Watts
Structure      13C NMR   碳谱模拟图
6 .     compound 4j
    相似度:54.5%
Heterocycles          2007          71          153-164
Positional Effect on the NMR Spectroscopy of Esters and Amides of 2-and 3-Furancarboxylic Acids
Kyu Ok Jeon, Ji Sook Yu, and Chang Kiu Lee
Structure      13C NMR   碳谱模拟图
7 .     8,11-dichloro-N-tosyl-3-aza[5]metacyclophane
C17H17NO2Cl2S     相似度:54.5%
Heterocycles          2001          54          799-824
3-Aza[5]metacyclophanes: Synthesis and Reactions
Daniël S. van Es, Maurice J. van Eis, Stephen N'Krumah, Norbert Gret, Arne Egberts, Marianne de Rijke, Franciscus J. J. de Kanter, Willem H. de Wolf, Friedrich Bickelhaupt,* and Anthony L. Spek
Structure      13C NMR   碳谱模拟图
8 .     11-chloro-N-tosyl-3-aza[5]metacyclophane
C17H18NO2ClS     相似度:54.5%
Heterocycles          2001          54          799-824
3-Aza[5]metacyclophanes: Synthesis and Reactions
Daniël S. van Es, Maurice J. van Eis, Stephen N'Krumah, Norbert Gret, Arne Egberts, Marianne de Rijke, Franciscus J. J. de Kanter, Willem H. de Wolf, Friedrich Bickelhaupt,* and Anthony L. Spek
Structure      13C NMR   碳谱模拟图
9 .     1-phenyl-1H-benzimidazole
    相似度:54.5%
European Journal of Organic Chemistry          2011                   3353-3360
Cross-Coupling Reactions of Aryl Halides with Amines, Phenols, and Thiols Catalyzed by an N,N′-Dioxide–Copper(I) Catalytic System
Haitao Yang, Chao Xi, Zhiwei Miao and Ruyu Chen
Structure      13C NMR   碳谱模拟图
10 .     tert-butyl 4-(benzoxazol-2-yl)piperazine-1-carboxylate
C16H21N3O3     相似度:54.5%
Tetrahedron          2013          69          6627-6633
Synthesis of 2-aminobenzoxazoles via copper-catalyzed electrophilic amination of benzoxazoles with O-benzoyl hydroxylamines
Sirilata Yotphan, Danupat Beukeaw, Vichai Reutrakul
Structure      13C NMR   碳谱模拟图
11 .     7-methoxy-4,5,6,7-tetrahydrobenzofuran
    相似度:54.5%
Chemical & Pharmaceutical Bulletin          2013          61          997-1001
Synthetic Models Related to Methoxalen and Menthofuran-Cytochrome P450 (CYP) 2A6 Interactions. Benzofuran and Coumarin Derivatives as Potent and Selective Inhibitors of CYP2A6
Yuki Yamaguchi, Ichie Akimoto, Kyoko Motegi, Teruki Yoshimura, Keiji Wada, Naozumi Nishizono, Kazuaki Oda
Structure      13C NMR   碳谱模拟图
12 .     7-Methoxy-4,5,6,7-tetrahydrobenzofuran
C9H12O2     相似度:54.5%
Natural Product Communications          2007          2          581-585
Substituent Effect in Color of Ehrlich’s Test ofTetrahydrobenzofuran
Chiaki Kuroda and Eriko Nishio
Structure      13C NMR   碳谱模拟图
13 .     1-Methylethyl 2-[Chloro(difluoro)methyl]-6-hydroxy-4-methylbenzoate
C12H13ClF2O3     相似度:54.5%
Helvetica Chimica Acta          2012          95          1037-1047
Regioselective Synthesis of 6-[Chloro(difluoro)methyl]salicylates by [3+3] Cyclocondensations of 1,3-Bis(trimethylsilyloxy)buta-1,3-dienes with 1-Chloro-1,1-difluoro-4-(trimethylsilyloxy)pent-3-en-2-one
Silke Erfle, Sebastian Reimann, Alina Bunescu, Zharylkasyn A. Abilov, Anke Spannenberg and Peter Langer
Structure      13C NMR   碳谱模拟图
14 .     (R)-(E)-2,6-dimethyl-3,7-octadiene-2,6-diol
    相似度:54.5%
Journal of Agricultural and Food Chemistry          1993          41          1311-1314
(R)-(-)-(E)-2,6-Dimethyl-3,7-octadiene-2,6-diol 6-O-.beta.-D-glucopyranoside: Natural precursor of hotrienol from lulo fruit (Solanum vestissimum D.) peelings
Herbert. Wintoch, Alicia. Morales, Carmenza. Duque, Peter. Schreier
Structure      13C NMR   碳谱模拟图
15 .     cyclo[Trp-Gly]
    相似度:53.8%
Chinese Journal of Marine Drugs          2009          28(2)          6-10
Studies on the chemical constituents of the fermentation liquid from marine bacteria Roseobacter sp.
MENG Xu-peng, TIAN Li, LIN Wen-han, LI Qing-shan
Structure      13C NMR   碳谱模拟图
Domyallbesttohaveahappylife.
3楼2013-11-07 15:59:10
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