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zhoujian6787

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[求助] 微谱求助已有2人参与

C谱数据:17.4,25.6,29.7,82.0,115.5,116.3,120.6,122.9,126.7,135.3,136.0,142.6,171.9,195.1
试剂:DMSO
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wangkaibo123

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kerry

优秀版主

【答案】应助回帖

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感谢参与,应助指数 +1
zhoujian6787: 金币+10, ★★★很有帮助 2014-10-08 19:21:15
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203个化合物(查询结果仅供参考)
1 .     3-butyl-3-hydroxy-1-methylquinoline-2,4(1H,3H)-dione
    相似度:78.5%
Tetrahedron          2013          69          10826-10835
Oxidative ring opening of 3-hydroxyquinoline-2,4(1H,3H)-diones into N-(α-ketoacyl)anthranilic acids
Stanislav Kafka, Karel Proisl, Věra Kašpárková, Damijana Urankar, Roman Kimmel, Janez Košmrlj
Structure      13C NMR   碳谱模拟图
2 .     3-ethyl-3-hydroxy-1-methylquinoline-2,4(1H,3H)-dione
C12H13NO3     相似度:71.4%
Tetrahedron          2013          69          10826-10835
Oxidative ring opening of 3-hydroxyquinoline-2,4(1H,3H)-diones into N-(α-ketoacyl)anthranilic acids
Stanislav Kafka, Karel Proisl, Věra Kašpárková, Damijana Urankar, Roman Kimmel, Janez Košmrlj
Structure      13C NMR   碳谱模拟图
3 .     3-hydroxy-1-methyl-3-phenylquinoline-2,4(1H,3H)-dione
C16H13NO3     相似度:64.2%
Tetrahedron          2013          69          10826-10835
Oxidative ring opening of 3-hydroxyquinoline-2,4(1H,3H)-diones into N-(α-ketoacyl)anthranilic acids
Stanislav Kafka, Karel Proisl, Věra Kašpárková, Damijana Urankar, Roman Kimmel, Janez Košmrlj
Structure      13C NMR   碳谱模拟图
4 .     1-benzyl-3-butyl-3-hydroxy-1H,3H-quinoline-2,4-dione
C20H21NO3     相似度:61.1%
Heterocycles          2003          60          1811-1820
Thermal Rearrangement of 3-Hydroxy-1H,3H-quinoline-2,4-diones to 3-Acyloxy-2,3-dihydro-1H-indol-2-ones
Antonín Klásek,* Kamil Koristek, Stanislav Kafka, and Janez Kosmrlj
Structure      13C NMR   碳谱模拟图
5 .     3-butyl-1-methyl-3-ureido-1H,3H-quinoline-2,4-dione
C15H19N3O3     相似度:60%
Journal of Heterocyclic Chemistry          2006          43          1251-1260
Molecular rearrangement of 1-substituted 3-aminoquinoline-2,4-diones in their reaction with urea and nitrourea synthesis and transformations of reaction intermediates
Antonín Klásek,Michal Kovář,Ignác Hoza,Antonín Lyčka and Michal Holčapek
Structure      13C NMR   碳谱模拟图
6 .     1-methyl-3-phenyl-3-ureido-1H,3H-quinoline-2,4-dione
C17H15N3O3     相似度:60%
Journal of Heterocyclic Chemistry          2006          43          1251-1260
Molecular rearrangement of 1-substituted 3-aminoquinoline-2,4-diones in their reaction with urea and nitrourea synthesis and transformations of reaction intermediates
Antonín Klásek,Michal Kovář,Ignác Hoza,Antonín Lyčka and Michal Holčapek
Structure      13C NMR   碳谱模拟图
7 .     3-amino-3-benzyl-1-methylquinoline-2,4(1H,3H)-dione
C17H16N2O     相似度:60%
Helvetica Chimica Acta          2014          97          595-612
Reduction of 3-Aminoquinoline-2,4(1H,3H)-diones and Deamination of the Reaction Products
Antonín Klásek, Antonín Lyčka, Michal Rouchal, Ondřej Rudolf and Aleš Růžička
Structure      13C NMR   碳谱模拟图
8 .     3-(4-Hydroxy-3-prenylphenyl)acrylic acid methyl ester
C15H18O3     相似度:60%
Bioorganic & Medicinal Chemistry          2011          19          5392-5401
Isolation, identification, and biological evaluation of HIF-1-modulating compounds from Brazilian green propolis
Hisanori Hattori, Kensuke Okuda, Tetsuji Murase, Yuki Shigetsura, Kosuke Narise, Gregg L. Semenza, Hideko Nagasawa
Structure      13C NMR   碳谱模拟图
9 .     methyl 3,4-dihydroxy-5-(3-methyl-2-butenyl)benzoate
C13H16O4     相似度:57.1%
Journal of Natural Products          2008          71(9)          1538-1543
Benzoic Acid Derivatives from Piper Species and Their Antiparasitic Activity
Ninoska Flores, Ignacio A Jiménez, Alberto Giménez, Grace Ruiz, David Gutiérrez, Genevieve Bourdy, and Isabel L. Bazzocchi
Structure      13C NMR   碳谱模拟图
10 .     methyl 4-hydroxy-3-(3'-methyl-2'-butenyl)benzoate
C13H16O3     相似度:57.1%
Journal of Natural Products          1997          60          282-284
Methyl 4-Hydroxy-3-(3'-methyl-2'-butenyl)benzoate, Major Insecticidal Principle from Piper guanacastensis
Rogelio Pereda-Miranda
Structure      13C NMR   碳谱模拟图
11 .     ethyl 4-hydroxy-3-(3'-methyl-2'-butenyl)benzoate
C14H18O3     相似度:57.1%
Journal of Natural Products          1997          60          282-284
Methyl 4-Hydroxy-3-(3'-methyl-2'-butenyl)benzoate, Major Insecticidal Principle from Piper guanacastensis
Rogelio Pereda-Miranda
Structure      13C NMR   碳谱模拟图
12 .     methyl 4-hydroxy-3-(3-methyl-2-butenyl)-benzoate
    相似度:57.1%
Planta Medica          1993          59          546-551
Five New Prenylated p-Hydroxybenzoic Acid Derivatives with Antimicrobial and Molluscicidal Activity from Piper aduncum Leaves
J Orjala,C.A.J. Erdel,neier, A.D. Wright,T. Rali, and O. Sticher
Structure      13C NMR   碳谱模拟图
13 .     6-bromo-1-(tert-butyldimethylsilyl)-3-ethylindole
C16H24BrNSi     相似度:57.1%
Chemical & Pharmaceutical Bulletin          1996          44          1831-1839
Total Synthesis of Nortopsentins A-D, Marine Alkaloids
Ikuo KAWASAKI,Masayuki YAMASHITA and Shunsaku OHTA
Structure      13C NMR   碳谱模拟图
Domyallbesttohaveahappylife.
2楼2014-10-08 18:25:57
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lifeliuyan

至尊木虫 (职业作家)

【答案】应助回帖

感谢参与,应助指数 +1
查询结果:共查到203个化合物(查询结果仅供参考)
1 .     3-butyl-3-hydroxy-1-methylquinoline-2,4(1H,3H)-dione
    相似度:78.5%
Tetrahedron          2013          69          10826-10835
Oxidative ring opening of 3-hydroxyquinoline-2,4(1H,3H)-diones into N-(α-ketoacyl)anthranilic acids
Stanislav Kafka, Karel Proisl, Věra Kašpárková, Damijana Urankar, Roman Kimmel, Janez Košmrlj
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
2 .     3-ethyl-3-hydroxy-1-methylquinoline-2,4(1H,3H)-dione
C12H13NO3     相似度:71.4%
Tetrahedron          2013          69          10826-10835
Oxidative ring opening of 3-hydroxyquinoline-2,4(1H,3H)-diones into N-(α-ketoacyl)anthranilic acids
Stanislav Kafka, Karel Proisl, Věra Kašpárková, Damijana Urankar, Roman Kimmel, Janez Košmrlj
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
3 .     3-hydroxy-1-methyl-3-phenylquinoline-2,4(1H,3H)-dione
C16H13NO3     相似度:64.2%
Tetrahedron          2013          69          10826-10835
Oxidative ring opening of 3-hydroxyquinoline-2,4(1H,3H)-diones into N-(α-ketoacyl)anthranilic acids
Stanislav Kafka, Karel Proisl, Věra Kašpárková, Damijana Urankar, Roman Kimmel, Janez Košmrlj
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
4 .     1-benzyl-3-butyl-3-hydroxy-1H,3H-quinoline-2,4-dione
C20H21NO3     相似度:61.1%
Heterocycles          2003          60          1811-1820
Thermal Rearrangement of 3-Hydroxy-1H,3H-quinoline-2,4-diones to 3-Acyloxy-2,3-dihydro-1H-indol-2-ones
Antonín Klásek,* Kamil Koristek, Stanislav Kafka, and Janez Kosmrlj
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
5 .     3-butyl-1-methyl-3-ureido-1H,3H-quinoline-2,4-dione
C15H19N3O3     相似度:60%
Journal of Heterocyclic Chemistry          2006          43          1251-1260
Molecular rearrangement of 1-substituted 3-aminoquinoline-2,4-diones in their reaction with urea and nitrourea synthesis and transformations of reaction intermediates
Antonín Klásek,Michal Kovář,Ignác Hoza,Antonín Lyčka and Michal Holčapek
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
6 .     1-methyl-3-phenyl-3-ureido-1H,3H-quinoline-2,4-dione
C17H15N3O3     相似度:60%
Journal of Heterocyclic Chemistry          2006          43          1251-1260
Molecular rearrangement of 1-substituted 3-aminoquinoline-2,4-diones in their reaction with urea and nitrourea synthesis and transformations of reaction intermediates
Antonín Klásek,Michal Kovář,Ignác Hoza,Antonín Lyčka and Michal Holčapek
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
7 .     3-amino-3-benzyl-1-methylquinoline-2,4(1H,3H)-dione
C17H16N2O     相似度:60%
Helvetica Chimica Acta          2014          97          595-612
Reduction of 3-Aminoquinoline-2,4(1H,3H)-diones and Deamination of the Reaction Products
Antonín Klásek, Antonín Lyčka, Michal Rouchal, Ondřej Rudolf and Aleš Růžička
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
8 .     3-(4-Hydroxy-3-prenylphenyl)acrylic acid methyl ester
C15H18O3     相似度:60%
Bioorganic & Medicinal Chemistry          2011          19          5392-5401
Isolation, identification, and biological evaluation of HIF-1-modulating compounds from Brazilian green propolis
Hisanori Hattori, Kensuke Okuda, Tetsuji Murase, Yuki Shigetsura, Kosuke Narise, Gregg L. Semenza, Hideko Nagasawa
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
9 .     methyl 3,4-dihydroxy-5-(3-methyl-2-butenyl)benzoate
C13H16O4     相似度:57.1%
Journal of Natural Products          2008          71(9)          1538-1543
Benzoic Acid Derivatives from Piper Species and Their Antiparasitic Activity
Ninoska Flores, Ignacio A Jiménez, Alberto Giménez, Grace Ruiz, David Gutiérrez, Genevieve Bourdy, and Isabel L. Bazzocchi
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
10 .     methyl 4-hydroxy-3-(3'-methyl-2'-butenyl)benzoate
C13H16O3     相似度:57.1%
Journal of Natural Products          1997          60          282-284
Methyl 4-Hydroxy-3-(3'-methyl-2'-butenyl)benzoate, Major Insecticidal Principle from Piper guanacastensis
Rogelio Pereda-Miranda
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
11 .     ethyl 4-hydroxy-3-(3'-methyl-2'-butenyl)benzoate
C14H18O3     相似度:57.1%
Journal of Natural Products          1997          60          282-284
Methyl 4-Hydroxy-3-(3'-methyl-2'-butenyl)benzoate, Major Insecticidal Principle from Piper guanacastensis
Rogelio Pereda-Miranda
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
12 .     methyl 4-hydroxy-3-(3-methyl-2-butenyl)-benzoate
    相似度:57.1%
Planta Medica          1993          59          546-551
Five New Prenylated p-Hydroxybenzoic Acid Derivatives with Antimicrobial and Molluscicidal Activity from Piper aduncum Leaves
J Orjala,C.A.J. Erdel,neier, A.D. Wright,T. Rali, and O. Sticher
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
13 .     6-bromo-1-(tert-butyldimethylsilyl)-3-ethylindole
C16H24BrNSi     相似度:57.1%
Chemical & Pharmaceutical Bulletin          1996          44          1831-1839
Total Synthesis of Nortopsentins A-D, Marine Alkaloids
Ikuo KAWASAKI,Masayuki YAMASHITA and Shunsaku OHTA
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
14 .     plicatin B
C15H18O3     相似度:57.1%
Phytochemistry          1991          30          3569-3570
Plicatin B, the antimicrobial principle ofPsoralea juncea
Annegret Schmitt, Hanumaiah Telikepalli, Lester A. Mitscher
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
15 .     1,2-Dihydroxy-4-(3-methyl-2-buten-1-yl) Benzene
    相似度:57.1%
Molecules          2012          17          556-570
Synthesis and DPPH Radical Scavenging Activity of Prenylated Phenol Derivatives
Mauricio Osorio, Jacqueline Aravena, Alejandra Vergara, Lautaro Taborga,Evelyn Baeza, Karen Catalán, Cesar González, Marcela Carvajal, Héctor Carrasco and Luis Espinoza
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
16 .     compound 11a
    相似度:57.1%
Tetrahedron Letters          2000          41          2859-2862
Metal mediated cyclooligomerization of mono- and diazulenylethynes
Ahmed H. M. Elwahy, Klaus Hafner
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
17 .     ethyl 3-butyl-2,4-dioxo-1H,3H-quinolin-3-ylcar-bamate
C16H20N2O4     相似度:57.1%
Journal of Heterocyclic Chemistry          2006          43          203-211
Reaction of 3-aminoquinoline-2,4-diones with isocyanates. Synthesis of novel 3-(3'-alkyl/arylureido)quinoline-2,4-diones and their cyclic carbinolamide isomers
Antonín Klásek,Ignác Hoza,Antonín Lyčka and Michal Holčapek
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
18 .     compound 1d
C14H19NO2     相似度:57.1%
Heterocycles          2005          65          2095-2105
Facile Synthesis of 3-Substituted and 1,3-Disubstituted Quinolin-2(1H)-ones from 2-Nitrobenzaldehydes
Kwanghee Koh Park* and Jin Young Jung
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
19 .     3-amino-1-methyl-3-phenylquinoline-2,4(1H,3H)-dione
C16H14N2O2     相似度:57.1%
Heterocycles          2002          57          1659-1682
Syntheses of 3-Aminoquinoline-2,4(1H,3H)-diones
Stanislav Kafka, Antonín Klásek,* Jirí Polis, and Janez Kosmrlj
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
20 .     1-triisopropylsilyl-3-(4-nitro-1,3-butadienyl) indole
C21H30N2O2Si     相似度:57.1%
Heterocycles          2000          53          2701-2708
Reactions of a Nitrodienamine with 1-Protected Indolyllithium
Takeshi Koike,* Yoshifumi Shinohara, Seisho Tobinaga, and Naoki Takeuchi
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
21 .     compound 3
    相似度:57.1%
Magnetic Resonance in Chemistry          2012          50          515-522
NMR spectroscopic characterization of new 2,3-dihydro-1,3,4-thiadiazole derivatives
M. Dora Carrión, Luisa C. López-Cara, Mariem Chayah, Duane Choquesillo-Lazarte, Miguel A. Gallo, Antonio Espinosa, Antonio Entrena and M. Encarnación Camacho
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
22 .     compound 8
    相似度:57.1%
Magnetic Resonance in Chemistry          2012          50          515-522
NMR spectroscopic characterization of new 2,3-dihydro-1,3,4-thiadiazole derivatives
M. Dora Carrión, Luisa C. López-Cara, Mariem Chayah, Duane Choquesillo-Lazarte, Miguel A. Gallo, Antonio Espinosa, Antonio Entrena and M. Encarnación Camacho
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
3楼2014-10-08 18:26:36
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