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anna836

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[求助] 求助微谱数据查询

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  • 2013-08-08 12:09:12, 13.26 K

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wangkaibo123

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【答案】应助回帖


感谢参与,应助指数 +1
PSA: 金币+1, 3u 2013-08-08 15:46:10
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25个化合物(查询结果仅供参考)
1 .     6-(3,4,5-Trimethoxybenzoyl)-1,3-benzoxazol-2(3H)-one
C17H15O6N     相似度:57.1%
Bioorganic & Medicinal Chemistry          2011          19          6042-6054
Synthesis and biological evaluation of phenstatin metabolites
Alina Ghinet, Benoît Rigo, Jean-Pierre Hénichart, Delphine Le Broc-Ryckewaert, Jean Pommery, Nicole Pommery, Xavier Thuru, Bruno Quesnel, Philippe Gautret
Structure      13C NMR   碳谱模拟图
2 .     N-(2-ethoxy[1,2,4]triazolo[1,5-a]quinazolin-5-yl)isonicotinichydrazide
C17H15N7O2     相似度:53.8%
Heterocycles          2010          81          1843-1859
Novel Synthesis of 2-Alkoxy(Aralkoxy)-5-chloro[1,2,4]triazolo[1,5-a]quinazolines and Their Derivatives
Rashad Al-Salahi and Detlef Geffken
Structure      13C NMR   碳谱模拟图
3 .     Ethyl 3-(3-Methoxy-4-methylphenyl)-3-oxopropanoate
C13H16O4     相似度:53.8%
Helvetica Chimica Acta          2010          93          1261-1273
Efficient Total Synthesis of Racemic Bisabolane Sesquiterpenes Curcuphenol and Xanthorrhizol Starting from Substituted Acetophenones
Luisa E. Montiel, L. Gerardo Zepeda and Joaquín Tamariz
Structure      13C NMR   碳谱模拟图
4 .     compound 4b
C15H15NO3     相似度:53.8%
Archiv der Pharmazie          2003          336          53-71
Relationship between the Structure and Antimycobacterial Activity of Substituted Salicylanilides
Karel Waisser, Otakar Bureš, Pavel Holy, Jiří Kuneš, Radek Oswald, Lucie Jirásková, Milan Pour, Věra Klimešová, Lenka Kubicová and Jarmila Kaustová
Structure      13C NMR   碳谱模拟图
5 .     (Z)-3-(benzothiazol-2-yloxy)-acrylic acidethyl ester
C12H11NO3S     相似度:53.8%
Bioorganic & Medicinal Chemistry          2010          18          4178-4186
A new class of potential anti-tuberculosis agents: Synthesis and preliminary evaluation of novel acrylic acid ethyl ester derivatives
M. Shahjahan Kabir, Ojas A. Namjoshi, Ranjit Verma, Rebecca Polanowski, Sarah M. Krueger, David Sherman, Marc A. Rott, William R. Schwan, Aaron Monte, James M. Cook
Structure      13C NMR   碳谱模拟图
6 .     4-methyl-3-(2-methoxyphenyl)morpholin-2-one hydrochloride
C12H16ClNO3     相似度:53.8%
Tetrahedron          2012          68          3092-3097
A concise synthesis of tetrahydroisoquinoline-1-carboxylic acids using a Petasis reaction and Pomeranz–Fritsch–Bobbitt cyclization sequence
Maria Chrzanowska, Agnieszka Grajewska, Zofia Meissner, Maria Rozwadowska, Iwona Wiatrowska
Structure      13C NMR   碳谱模拟图
7 .     6-methoxy-2-methyl-1,4-naphthoquinone-2,3-epoxide
C12H10O4     相似度:53.8%
European Journal of Medicinal Chemistry          2011          46          5778-5789
Anti-tumoral activities of dioncoquinones B and C and related naphthoquinones gained from total synthesis or isolation from plants
Gerhard Bringmann, Guoliang Zhang, Anastasia Hager, Michael Moos, Andreas Irmer, Ralf Bargou, Manik Chatterjee
Structure      13C NMR   碳谱模拟图
8 .     Agropyrenal
C13H12O3     相似度:53.8%
Phytochemistry          2012          79          102-108
Agropyrenol and agropyrenal, phytotoxins from Ascochyta agropyrina var. nana, a fungal pathogen of Elitrigia repens
Anna Andolfi, Alessio Cimmino, Maurizio Vurro, Alexander Berestetskiy, Ciro Troise, Maria Chiara Zonno, Andrea Motta, Antonio Evidente
Structure      13C NMR   碳谱模拟图
9 .     ω-Hydroxyemodin
    相似度:53.3%
Archives of Pharmacal Research          2012          35          461-468
Tetrahydroanthraquinone and Xanthone Derivatives from the Marine-Derived Fungus Trichoderma aureoviride PSU-F95
Nanthaphong Khamthong,Vatcharin Rukachaisirikul,Kwanruthai Tadpetch,Morakot Kaewpet,Souwalak Phongpaichit,Sita Preedanon,and Jariya Sakayaroj
Structure      13C NMR   碳谱模拟图
10 .     4'-chloro-α,β-epoxy-5-hydroxy-2-styrylchromone
C17H11ClO4     相似度:53.3%
Journal of Heterocyclic Chemistry          2006          43          1319-1326
Epoxidation studies of 2-styrylchromones using jacobsen's catalyst and hydrogen peroxide and iodosylbenzene as oxidants
Clementina M. M. Santos,Artur M. S. Silva,José A. S. Cavaleiro,Tamás Patonay and Albert Lévai
Structure      13C NMR   碳谱模拟图
11 .     N-(E)-(3-(furan-3-yl)acryloyl)-2-methoxybenzamide
C15H13NO4     相似度:53.3%
Heterocycles          2009          79          573-582
Asymmetric Synthesis of 4-Substituted 2,6-Dioxopiperidine-3-carbonitrile by Using Thiourea-Catalyzed Asymmetric Michael Addition
Tsubasa Inokuma, Yuuki Nagamoto, Shota Sakamoto, Hideto Miyabe, Kiyosei Takasu, and Yoshiji Takemoto
Structure      13C NMR   碳谱模拟图
12 .     2,6-bis(dimethoxyphenyl)-4-phenylpyriliumperchlorate
    相似度:53.3%
Canadian Journal of Chemistry          2004          82          1716-1724
A novel crown ether generation containing the pyrilium heteroaromatic cation Synthesis, characterization, and solid-phase 13C NMR
Abolghasem Moghimi, Majid Faal Rastegar, Mehdi Ghandi
Structure      13C NMR   碳谱模拟图
13 .     coniothyrione
C14H9ClO6     相似度:50%
Journal of Natural Products          2007          70          668-670
Coniothyrione, a Chlorocyclopentandienylbenzopyrone as a Bacterial Protein Synthesis Inhibitor Discovered by Antisense Technology
John G. Ondeyka,Deborah Zink,Angela Basilio, Francisca Vicente,Gerald Bills, Maria Teresa Diez, Mary Motyl, Gabe Dezeny,Kevin Byrne,and Sheo B. Singh
Structure      13C NMR   碳谱模拟图
14 .     compound 6
C14H14O3     相似度:50%
Chemical & Pharmaceutical Bulletin          1986          34          4554-4561
Azinomycins A and B, New Antitumor Antibiotics. II. : Chemical Structures
KOUICHI YOKOI,KATSUHIKO NAGAOKA and TOSHIAKI NAKASHIMA
Structure      13C NMR   碳谱模拟图
15 .     triacetyl-naringenin
    相似度:50%
Journal of Natural Products          1987          Vol 50          232
Puddumin-A, a New Flavanone Glucoside from Prunus cerasoides
R. P. Bahuguna, J. S. Jangwan, T. Kaiya, J. Sakakibara
Structure      13C NMR   碳谱模拟图
16 .     2-[1-(2-methoxybenzoyl)azetidin-3-yl]thio-1,3-thiazoline
C14H16N2O2S2     相似度:50%
Heterocycles          2009          78          1777-1786
Reaction of 1-Azabicyclo[1.1.0]butane with Activated Amides
Kazuhiko Hayashi, Eiko Kujime, Hajime Katayama, Shigeki Sano, and Yoshimitsu Nagao
Structure      13C NMR   碳谱模拟图
17 .     Diethyl bis(2-methyl1H-indol-3-yl)methylmalonate
C26H28N2O4     相似度:50%
Heterocycles          2011          83          2535-2546
Synthesis of Novel Methylene Bridge Functionalized Bis(indolyl)methanes through a Double Michael Addition
Mojgan Kargar, Rahim Hekmatshoar,* and AbdolJalil Mostashari
Structure      13C NMR   碳谱模拟图
18 .     fallacinol
    相似度:50%
Natural Product Research and Development          2001          13(6)          16-18
STUDIES ON THE CHEMICAL CONSTITUENTS OF HYPOESTES TRIFLORA
JIANG Bei; ZHAO Qin-shi; LIN Zhong-wen; LU Yang; ZHENG Qi-tai; SUN Han-dong
Structure      13C NMR   碳谱模拟图
19 .     5-(1-(3,5-dibromo-4-methoxyphenyl)-1H-1,2,3-triazol-5-yl)-2-methoxyphenol
C16H13N3O3Br2     相似度:50%
Bioorganic & Medicinal Chemistry          2012          20          1749-1759
Increased endothelial cell selectivity of triazole-bridged dihalogenated A-ring analogues of combretastatin A–1
Thomas M. Beale, Peter J. Bond, James D. Brenton, D. Stephen Charnock-Jones, Steven V. Ley, Rebecca M. Myers
Structure      13C NMR   碳谱模拟图
20 .     (E)-7-methoxy-4-(3-oxobut-1-enyl)-2H-chromen-2-one
C14H12O4     相似度:50%
Bioorganic & Medicinal Chemistry          2012          20          6831-6839
Design, synthesis and pharmacological characterization of coumarin-based fluorescent analogs of excitatory amino acid transporter subtype 1 selective inhibitors, UCPH-101 and UCPH-102
Tri H.V. Huynh, Bjarke Abrahamsen, Karsten K. Madsen, Alba Gonzalez-Franquesa, Anders A. Jensen, Lennart Bunch
Structure      13C NMR   碳谱模拟图

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Domyallbesttohaveahappylife.
2楼2013-08-08 12:39:57
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anna836

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引用回帖:
2楼: Originally posted by wangkaibo123 at 2013-08-08 12:39:57
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 ...

我回实验室后一一对照一下吧。大谢啦!
3楼2013-08-10 10:34:10
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wangkaibo123

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kerry

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引用回帖:
3楼: Originally posted by anna836 at 2013-08-10 10:34:10
我回实验室后一一对照一下吧。大谢啦!...

客气 客气
Domyallbesttohaveahappylife.
4楼2013-08-10 17:44:01
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