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yubo7758

铜虫 (初入文坛)

[求助] 求助微谱数据,谢谢!

急求一个化合物的微谱数据,请战友帮忙!碳谱数据如下:
15.79,19.89,55.17,116.20,117.78,123.35,129.62,144.07,147.92
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火箭穿屁屁

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【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与,应助指数 +1
豆哥: 金币+4, 谢谢 2012-08-31 09:20:42
yubo7758: 金币+5, ★★★★★最佳答案 2012-10-18 15:28:28
查询结果:共查到99个化合物(查询结果仅供参考)  
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1 .     protocatechuic acid
    相似度:66.6%
Chinese Pharmaceutical Journal          2011          46          338-340
Study on Chemical Constituents of Lonicerae Japonicae Flos
FENG Wei-shenga, CHEN Xinga, ZHENG Xiao-keb, ZHANG Chun-lei, LI Dan-dana
Structure      13C NMR   碳谱模拟图
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2 .     4-chloro-3-(1H-imidazol-2-yl)benzamine
C9H8ClN3     相似度:66.6%
Bioorganic & Medicinal Chemistry          2009          17          4943-4954
Synthesis and biological evaluation of SANT-2 and analogues as inhibitors of the hedgehog signaling pathway
Anita Büttner, Katrin Seifert, Thomas Cottin, Vasiliki Sarli, Lito Tzagkaroulaki, Stefan Scholz, Athanassios Giannis
Structure      13C NMR   碳谱模拟图
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3 .     compound V
    相似度:60%
Acta Pharmaceutica Sinica          1993          28          777-781
CHEMICAL CONSTITUENTS OF TRADITIONAL CHINESE DRUG “SHENG-MA”(CIMICIFUGA DAHURICA )
CJ Li; DH Chen and PG Xiao
Structure      13C NMR   碳谱模拟图
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4 .     compound 5b
    相似度:60%
Tetrahedron Letters          2003          44          7549-7552
Preparation of diarylamines by the addition of 4-(N,N-dimethylamino)phenyllithium to nitroarenes
Tianle Yang, Bongsup P. Cho
Structure      13C NMR   碳谱模拟图
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5 .     4-cyano-N-(4-methoxyphenyl)benzenesulfonamide
C14H12N2O3S     相似度:60%
Journal of Heterocyclic Chemistry          2011          48          407-413
Biaryl sulfonamides from O-acetyl amidoximes: 1,2,4-Oxadiazole cyclization under acidic conditions
Stefan Dosa, Jörg Daniels and Michael Gütschow
Structure      13C NMR   碳谱模拟图
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6 .     Trifluoroacetate 5-bromo-4-(5-bromothiophen-2-yl)-3,4-dihydropyrimidiniums
C10H7Br2F3N2O2S     相似度:60%
Tetrahedron          2012          68          5445-5452
Combination of the Suzuki–Miyaura cross-coupling and nucleophilic aromatic substitution of hydrogen () reactions as a versatile route to pyrimidines bearing thiophene fragments
Egor V. Verbitskiy, Ekaterina M. Cheprakova, Pavel A. Slepukhin, Mikhail I. Kodess, Marina A. Ezhikova, Marina G. Pervova, Gennady L. Rusinov, Oleg N. Chupakhin, Valery N. Charushin
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

7 .     apocynin
    相似度:55.5%
China Journal of Chinese Materia Medica          2009          34          2613-2615
Chemical constituents of flowers from Polygonum orientale
LI Yongjun, HE Xun, LIU Zhibao, HUANG Yong, LAN Yanyu, WANG Aimin, WANG Yonglin
Structure      13C NMR   碳谱模拟图
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8 .     4-ethoxy-3-hydroxymethylphenol
C9H12O3     相似度:55.5%
Phytochemistry          1998          49          2133-2136
Norneolignan and phenols from Curculigo capitulata
Wen-liang Chang, Shoei-sheng Lee
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

9 .     4-Ethylcatechol (4-ethyl-1,2-benzenediol)
    相似度:55.5%
Bioorganic & Medicinal Chemistry          2012          20          157-166
Layer-by-Layer coated tyrosinase: An efficient and selective synthesis of catechols
Melissa Guazzaroni, Claudia Crestini, Raffaele Saladino
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

10 .     2-azidomethyl-4-methoxyphenol
C8H9N3O2     相似度:55.5%
Chemical & Pharmaceutical Bulletin          2009          57          252-256
Catalytic Hypervalent Iodine Oxidation Using 4-Iodophenoxyacetic Acid and Oxone®: Oxidation of p-Alkoxyphenols to p-Benzoquinones
Takayuki Yakura, Yuan Tian, Yû Yamauchi, Masanori Omoto and Tatsuya Konishi
Structure      13C NMR   碳谱模拟图
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11 .     7-chloro-2-methyl-4H-benzo[1,4]thiazin-3-one
C9H8ClNOS     相似度:55.5%
Journal of Heterocyclic Chemistry          2006          43          1641-1646
Regioselective one pot synthesis of 2-alkyl/aryl-4h-benzo[1,4] thiazine-3-one via microwave irradiation
Sukanta Kamila,Benjamin Koh,Omair Khan,Hongming Zhang and Edward R. Biehl
Structure      13C NMR   碳谱模拟图
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12 .     2-(1-chloro-2-methylpropyl)-1-methyl-1H-imidazolehydro-chloride
C8H13ClN2     相似度:55.5%
Journal of Heterocyclic Chemistry          2004          41          335-341
Novel nucleophilic CC bond-forming tele-reaction of imidazole ring
Shunsaku Ohta,Kentaro Sato,Ikuo Kawasaki,Yuko Yamaguchi,Satoko Nishio and Masayuki Yamashita
Structure      13C NMR   碳谱模拟图
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13 .     compound 3h
    相似度:55.5%
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
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14 .     1-acetyl-7-azaindole
C9H8N2O     相似度:55.5%
Heterocycles          2006          67          797-805
Pyridine-derived Heterocycles as Potential Photoacylating Reagents
Céline Helgen and Christian G. Bochet*
Structure      13C NMR   碳谱模拟图
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15 .     N-Isopropyl-4-nitrobenzothiohydroxamic acid
C10H12N2O3S     相似度:55.5%
Magnetic Resonance in Chmesitry          2005          43          27-30
Substituent effects on 15N NMR chemical shifts in selected N-alkylthiohydroxamic acids. A comparative study
Witold Przychodzeń, Leszek Doszczak and Janusz Rachon
Structure      13C NMR   碳谱模拟图
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16 .     Apocynin
    相似度:55.5%
Archives of Pharmacal Research          2002          25          306-312
Isoflavonoids from the rhizomes of Belamcanda chinensis and their effects on aldose reductase and sorbitol accumulation in streptozotocin induced diabetic rat tissues
Sang Hoon Jung, Yeon Sil Lee, Sanghyun Lee, Soon Sung Lim and Yeong Shik Kim, et al.
Structure      13C NMR   碳谱模拟图
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17 .     compound 4g
    相似度:55.5%
Tetrahedron Letters          2001          42          3419-3422
Oxidation–Cope elimination: a REM-resin cleavage protocol for the solid-phase synthesis of hydroxylamines
Robert E Sammelson, Mark J Kurth
Structure      13C NMR   碳谱模拟图
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18 .     compound 5c
    相似度:55.5%
Tetrahedron Letters          2003          44          7549-7552
Preparation of diarylamines by the addition of 4-(N,N-dimethylamino)phenyllithium to nitroarenes
Tianle Yang, Bongsup P. Cho
Structure      13C NMR   碳谱模拟图
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19 .     compound 8
    相似度:55.5%
Tetrahedron Letters          2004          45          2159-2162
Preparation of ‘cage molecule’ based polyazido core units for dendrimer synthesis
Paritosh R. Dave, Raja Duddu, Kathy Yang, Reddy Damavarapu, Nathaniel Gelber, Rao Surapaneni, Richard Gilardi
Structure      13C NMR   碳谱模拟图
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20 .     protocatechuic acid
    相似度:55.5%
Chinese Pharmaceutical Journal          2004          39          820-821
Chemical constituents isolated from Pine needles of Pinus massoniana Lamb.
ZHENG Xiao-ke, FENG Wei-sheng, WANG Yan-zhi, BI Yue-feng, WANG Xin-liang
Structure      13C NMR   碳谱模拟图
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21 .     (2Z,4Z)-2,5-dimethylhexa-2,4-dienedinitrile monoxide
    相似度:55.5%
Heterocycles          2011          83          619-625
Photochemical Reaction of 4,7-Dimethylbenzofurazan Using Laser
Akira Mori, Yoshiteru Mikami, Hiroaki Saito, Koji Kobayashi, Shinichi Miyairi, Hisashi Ohshima, and Tohru Takabatake
Structure      13C NMR   碳谱模拟图
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22 .     T1801 A
C9H12O2S3     相似度:55.5%
Bioscience, Biotechnology, and Biochemistry          1992          56          1439-1442
T1801 A, B, C, and D, New Quinone and Hydroquinone Antibiotics Produced by a Strain of Pseudomonas
Kazuo KUMAGAI, Mitsunori KATO, Shigeyasu NABESHIMA, Shinji TSUYUMU
Structure      13C NMR   碳谱模拟图
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23 .     compound 3b
C13H8F4OS     相似度:55.5%
Tetrahedron          2012          68          4233-4241
Regioselective C–S bond formation accomplished by copper-catalyzed regioselective C–F substitution of perfluoroarenes with aryl thioacetates or benzyl thioacetate Original Research Article
Qizhong Zhou, Bin Zhang, Tieqi Du, Haining Gu, Huajiang Jiang, Rener Chen
Structure      13C NMR   碳谱模拟图
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24 .     2-[(1Z)-3-hydroxy-1-propenyl]aniline
C9H11NO     相似度:55.5%
Heterocycles          2002          56          313-330
Synthesis of 2,3-Disubstituted Indoles by Radical Cyclization with Hypophosphorous Acid and Its Application to Total Synthesis of (±)-Catharanthine
Matthew T. Reding, Yosuke Kaburagi, Hidetoshi Tokuyama, and Tohru Fukuyama*
Structure      13C NMR   碳谱模拟图
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25 .     3-acetyl-7-azaindole
C9H8N2O     相似度:55.5%
Tetrahedron          2001          57          2355-2363
Synthesis of the indole alkaloids meridianins from the tunicate Aplidium meridianum
Pilar M Fresneda, Pedro Molina, Juan A Bleda
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

26 .     2-(3-nitrophenyl)-4(5)-phenylimidazole
C15H11N3O2     相似度:55.5%
Bioorganic & Medicinal Chemistry          2009          17          3642-3648
2,4(5)-Diarylimidazoles as inhibitors of hNaV1.2 sodium channels: Pharmacological evaluation and structure–property relationships
Marco Fantini, Mirko Rivara, Valentina Zuliani, Christopher L. Kalmar, Federica Vacondio, Claudia Silva, Aparna R. Baheti, Natasha Singh, Ellen C. Merrick, Ravi S. Katari, Giuseppe Cocconcelli, Chiara Ghiron, Manoj K. Patel
Structure      13C NMR   碳谱模拟图
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27 .     apocynin
    相似度:55.5%
Chinese Journal of Natural Medicines          2011          9          406-409
Chemical Constituents of Boea hygrometrica
Wei-Sheng FENG, Yuan-Jing LI, Xiao-Ke ZHENG, Yan-Zhi WANG, Fang-Yi SU
Structure      13C NMR   碳谱模拟图
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28 .     3-methyl-5-chloro-1,2-benzisoxazole-2-oxide
    相似度:55.5%
Indian Journal of Chemistry          2011          50B          119-125
An efficient synthesis of 3-chloromethyl-1,2-benzisoxazoles via modified Boekelheide rearrangement
Arava, Veera Reddy; Gorentla, Laxminarasimhulu; Siripalli, Uday Bhaskara Rao; Dubey, Pramod Kumar
Structure      13C NMR   碳谱模拟图
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29 .     4-chloro-2-cyanoquinoline
    相似度:55.5%
Journal of Heterocyclic Chemistry          2011          48          961-964
A simple procedure for the preparation of 2-cyano-4-chloropyridines
Arava Veerareddy, Gogireddy Surendrareddy and P. K. Dubey
Structure      13C NMR   碳谱模拟图
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30 .     5-bromo-2-ethyl-2H-indazole
C9H9BrN2     相似度:55.5%
Molecules          2012          17          4508-4521
Article: The Suzuki Reaction Applied to the Synthesis of Novel Pyrrolyl and Thiophenyl Indazoles
Antonella Migliorini, Chiara Oliviero, Tecla Gasperi and Maria Antonietta Loreto
Structure      13C NMR   碳谱模拟图
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31 .     benadrostin
C8H5NO4     相似度:55.5%
The Journal of Antibiotics          1988          41          1015-1018
BENADROSTIN, NEW INHIBITOR OF POLY(ADP-RIBOSE) SYNTHETASE, PRODUCED BY ACTINOMYGETES II. STRUCTURE DETERMINATION
SHIGEMI YOSHIDA, HIROSHI NAGANAWA, TAKAAKI AOYAGI, TOMIO TAKEUCHI, HAMAO UMEZAWA
Structure      13C NMR   碳谱模拟图
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32 .     4-(Ditolylamino)phenol
    相似度:55.5%
European Journal of Organic Chemistry          2012                   1394-1403
Design of New Tetrazine–Triphenylamine Bichromophores – Fluorescent Switching by Chemical Oxidation
Cassandre Quinton, Valérie Alain-Rizzo, Cécile Dumas-Verdes, Gilles Clavier, Fabien Miomandre and Pierre Audebert
Structure      13C NMR   碳谱模拟图
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33 .     Trifluoroacetate 5-bromo-4-thiophen-2-yl-3,4-dihydropyrimidinium
C10H8BrF3N2O2S     相似度:55.5%
Tetrahedron          2012          68          5445-5452
Combination of the Suzuki–Miyaura cross-coupling and nucleophilic aromatic substitution of hydrogen () reactions as a versatile route to pyrimidines bearing thiophene fragments
Egor V. Verbitskiy, Ekaterina M. Cheprakova, Pavel A. Slepukhin, Mikhail I. Kodess, Marina A. Ezhikova, Marina G. Pervova, Gennady L. Rusinov, Oleg N. Chupakhin, Valery N. Charushin
Structure      13C NMR   碳谱模拟图
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34 .     3-Hydroxy-4-methoxyallylbenzene
    相似度:55.5%
Journal of Agricultural and Food Chemistry          2006          54          9046-9054
Antioxidant Activity of Piper betel Leaf Extract and Its Constituents
Jitesh S. Rathee, Birija S. Patro, Soumyaditya Mula, Sunita Gamre, and Subrata Chattopadhyay
Structure      13C NMR   碳谱模拟图
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35 .     caffeic acid ethyl ester
    相似度:54.5%
China Journal of Chinese Materia Medica          2009          34          2334-2337
Non-alkaloid constituents of Gelsemium elegans
ZHANG Binfeng, CHOU Guixin, WANG Zhengtao
Structure      13C NMR   碳谱模拟图
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36 .     methyl 4-{[(Z)-2-amino-1,2-dicyanovinyl]amino}methylene-aminobenzoate
    相似度:54.5%
Journal of Heterocyclic Chemistry          2007          44          13-19
A facile regioselective synthesis of (5-amino-4-cyano-1h-imidazol-1-yl) benzoic acids
Síria A. Barros,M. Sameiro T. Gonçalves,Ana M. F. Oliveira-Campos and Fernanda R. P. Proença
Structure      13C NMR   碳谱模拟图
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37 .     9-(p-tolyl)-1,9-dihydropurin-6-one oxime
C12H12N5O     相似度:54.5%
Heterocycles          2009          78          2951-2962
Synthesis of 6-Substituted Purine Derivatives
Amal Al-Azmi and K. Anita Kumari
Structure      13C NMR   碳谱模拟图
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38 .     2-methoxy-4-(2-ethoxyethyl)phenol
C11H16O3     相似度:54.5%
Food Chemistry          2011          129          1169-1178
Preparation and antioxidant activity of tyrosyl and homovanillyl ethers
A. Madrona, G. Pereira-Caro, L. Bravo, R. Mateos, J.L. Espartero
Structure      13C NMR   碳谱模拟图
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39 .     2-Mercapto-5-methyl-8aH-[1,3]thiazolo[3,2-a]pyridin-3-yl)(2-thienyl)methanone
C13H11NOS3     相似度:53.8%
Molecules          2008          13          1066-1078
Facile Synthesis of Heterocycles via 2-Picolinium Bromide and Antimicrobial Activities of the Products
Elham S. Darwish
Structure      13C NMR   碳谱模拟图
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40 .     ferulic acid
    相似度:50%
Chemical & Pharmaceutical Bulletin          1983          31          156-161
Studies on the Constituents of the Stems of Tinospora tuberculata BEUMEE. I. N-trans- and N-cis-Feruloyl Tyramine, and a New Phenolic Glucoside, Tinotuberide
NAOMICHI FUKUDA,MICHIKO YONEMITSU and TAKEATSU KIMURA
Structure      13C NMR   碳谱模拟图
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41 .     kerinol
C20H26O8     相似度:50%
Journal of Asian Natural Products Research          2008          10          435-438
A new lignan and anti-inflammatory flavonoids from Kerria japonica
Jian Wu, Jia-Quan Feng and Wei-Min Zhao
Structure      13C NMR   碳谱模拟图
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42 .     ferulic acid
C10H10O4     相似度:50%
China Journal of Chinese Materia Medica          2001          26          258-260
Organic Acid Constituents from the Stem of Securidaca inappendiculata Hassk.
YANG Xuedong, XU Lizhen, YANG Shilin
Structure      13C NMR   碳谱模拟图
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43 .     ferulic acid
    相似度:50%
Acta Pharmaceutica Sinica          2004          Vol 39          41-45
Isolation and structural identification of chemical constituents from Selaginella tamariscina (Beauv.)Spring
BI Yue feng; ZHENG Xiao ke; FENG Wei sheng; SHI She po
Structure      13C NMR   碳谱模拟图
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44 .     gallic acid methyl ether
    相似度:50%
Natural Product Sciences          1998          4          245-252
Unique Phenolic Sulphate Conjugates from the Flowers of Tamarix amplexicaulis
Souleman, Ahmed A.M.; Barakat, Heba H.; Hussein, Sahar A.M.; El-Mousallamy, Amani M.D.; Nawwar, Mahmoud A.M.
Structure      13C NMR   碳谱模拟图
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45 .     Ferulic acid
    相似度:50%
Natural Product Sciences          2005          11          229-232
Antioxidant Constituents from Portulaca oleracea
Choi, Bong-Rak; Hong, Seong-Su; Han, Xiang Hua; Hwang, Ji-Sang; Lee, Min-Hee; Hur, Jae-Doo; Hwang, Bang-Yeon; Ro, Jai-Seup
Structure      13C NMR   碳谱模拟图
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46 .     N-(1-(5-Bromo-1H-indol-3-yl)ethyl)hydroxylamine
    相似度:50%
Bioorganic & Medicinal Chemistry          2011          19          3204-3215
Synthesis and evaluation of 1-(1H-indol-3-yl)ethanamine derivatives as new antibacterial agents
Olga N. Burchak,Emmanuelle Le Pihive, Laure Maigre, Xavier Guinchard , Pascale Bouhours ,Claude Jolivalt, Dominique Schneider , Max Maurin , Carmela Giglione , Thierry Meinnel ,Jean-Marc Paris , Jean-Noël Denis
Structure      13C NMR   碳谱模拟图
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47 .     4-Methyl-5-(1-phenyl-1H-tetrazol-5-ylthio)benzene-1,2-diol
C14H12O2N4S     相似度:50%
Chemical & Pharmaceutical Bulletin          2011          59(9)          1149-1152
Catecholthioether Derivatives: Preliminary Study of in-Vitro Antimicrobial and Antioxidant Activities
Hadi ADIBI, Atefeh RASHIDI, Mohammad Mehdi KHODAEI, Abdolhamid ALIZADEH, Mohammad Bagher MAJNOONI, Narges PAKRAVAN, Ramin ABIRI, and Davood NEMATOLLAHI
Structure      13C NMR   碳谱模拟图
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48 .     3,5-Dibromo-1-carbomethoxyindole
C10H7NO2Br2     相似度:50%
Journal of Natural Products          2006          69          1596-1600
Synthesis of Bromoindole Alkaloids from Laurencia brongniartii
Oscar R. Surez-Castillo, Lidia Beiza-Granados, Myriam Melndez-Rodrguez,Alejandro lvarez-Hernndez, Martha S. Morales-Ros, and Pedro Joseph-Nathan
Structure      13C NMR   碳谱模拟图
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49 .     3-carbethoxy-8-hydroxy-benzopyran-2-imine
C12H11NO4     相似度:50%
Journal of Heterocyclic Chemistry          2009          46          1392-1395
Facile,efficient,and eco-friendly synthesis of benzopyran-2-imines over MgO and transformation to the coumarin derivatives
Hassan Valizadeh and Ashraf Fakhari
Structure      13C NMR   碳谱模拟图
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50 .     (3-methyl-1-phenyl-1H-pyrazol-5-yl) acetate
C12H12N2O2     相似度:50%
Journal of Heterocyclic Chemistry          2006          43          859-865
Synthesis of 1-acyl-1,2-dihydro-3H-pyrazol-3-ones VIA lewis acid-mediated rearrangement of 3-acyloxypyrazoles
Hiroshi Maruoka,Kenji Yamagata,Fumi Okabe and Yukihiko Tomioka
Structure      13C NMR   碳谱模拟图
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51 .     compound 2l
    相似度:50%
Indian Journal of Chemistry          2005          44B          426-429
A novel route to anticonvulsant imesatins and an approach to cryptolepine,the alkaloid from Cryptolepis Sp.
Banerji,J; Lai,T K; Basak,B; Neuman,A; Prangé,T; Chatterjee,A
Structure      13C NMR   碳谱模拟图
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52 .     N-(4-methylphenyl)benzo[d]oxazol-2-amine
    相似度:50%
Heterocycles          2010          81          2087-2096
An Efficient Synthesis of 2-Aminobenzoxazoles and 2-Aminobenzothiazoles from 2-Aminophenols or 2-Aminothiophenols and Isoselenocyanates
Yuanyuan Xie, Fan Zhang, Xiaodong Chen, and Jianjun Li
Structure      13C NMR   碳谱模拟图
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53 .     3,6-dimethyl-o-quinone monoacetal
C10H12O3     相似度:50%
Heterocycles          2010          82          491-504
Asymmetric Syntheses of Highly Functionalized Bicyclo[2.2.2]octene Derivatives
Masafumi Iwatsu, Daisuke Urabe, and Masayuki Inoue
Structure      13C NMR   碳谱模拟图
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54 .     2,3-dihydro-7-methyl-4-(4-morpholinyl)-1,3-dioxo-1H-isoindole-5-carbonitrile
C14H13N3O3     相似度:50%
Heterocycles          2009          77          617-628
Diels-Alder Reaction of 2-(Cyclic Amino)-substituted 3-Furancarbonitriles with Maleimides to Phthalimides
Hiroshi Maruoka, Fumi Okabe, Yoshimichi Koutake, Toshihiro Fujioka, and Kenji Yamagata
Structure      13C NMR   碳谱模拟图
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