|
|
【答案】应助回帖
★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
moonface551: 金币+10, ★★★很有帮助 2012-06-11 15:13:06
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
5.9,21.7,54.4,118.4,121.4,121.5,128.2,141.2,143.4
溶剂选项： 全部 CDCl3 CD3CD2OD CD2Cl2 C5D5N C3D7NO CD3SOCD3 C4D8O (CH3)4Si C4D8O2 CD3COOD C4D8O2 H2O D2O CF3COOD CD3OD ND3 CD3COCD3 C6D6 CD3CN 查询空值
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47个化合物(查询结果仅供参考)
--------------------------------------------------------------------------------
1 . 4-[(E)-(2H-1,2,3-benzotriazol-2-ylimino)methyl]pyridin-3-ol
相似度:55.5%
Molecules 2006 11 453-463
Syntheses and Structural Studies of Schiff Bases Involving Hydrogen Bonds
Almudena Perona, Dionisia Sanz, Rosa M. Claramunt and José Elguero
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
2 . 2(1H)-quinolinone
相似度:55.5%
Natural Product Research 1993 3 227-231
Isolation of Quinolinones from Ayurvedic Processed Root Tubers of Aconitum ferox1
Jampani Bhogi Hanuman; Alfred Katz
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
3 . 2-quinolone
相似度:55.5%
Acta Pharmaceutica Sinica 1990 Vol 25 382-386
STUDIES ON THE CHEMICAL CONSTITUENTS OF BRUCEA JAVANICA (L.) MERR
YN Yu and X Li
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
4 . 2-Methoxy-4-methyl-2-nitrophenol
相似度:55.5%
Canadian Journal of Chemistry 2009 87 1144-1147
Aluminum nitrate and silica sulfuric acid as efficient nitrating media for the mononitration of phenols under mild and heterogeneous conditions
Arash Ghorbani-Choghamarani, Hamid Goudarziafshar, Mohsen Nikoorazm, and Somaieh Yousefi
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
5 . 2-(4-Methoxyphenyl)acetonitrile
相似度:55.5%
Phytochemistry Letters 2012 5 351-357
Antimicrobial volatile glucosinolate autolysis products from Hornungia petraea (L.) Rchb. (Brassicaceae)
Niko S. Radulović, Milan S. Dekić, Zorica Z. Stojanović-Radic
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
6 . (6-methyl-pyrazin-2-yl)-phenylamine
C11H11N3 相似度:55.5%
Journal of Heterocyclic Chemistry 2008 45 1451-1456
A general and efficient route to 6-methyl-pyrazin-2-yl-amines: Alkylation of 2,6-dichloropyrazine via malonate derivatives
Paul J. J. Colbon,Alison C. Foster,Melvyn E. Giles,Zakariya Patel and John T. Singleton
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
7 . 3-(1H-indol-3-ylmethyl)-1H-indole
C17H14N2 相似度:55.5%
Indian Journal of Chemistry 2007 46B 669-673
Efficient synthesis of bis(indolyl) methanes in aqueous medium catalyzed by molybdenyl acetylacetonate
Banerjee,B; Mandal,S K; Roy,S C
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
8 . 2,5-dimethyl-3,6-bis(N-methyl-N-phenylamino)pyrazine
C20H22N4 相似度:55.5%
Heterocycles 2008 76 689-698
Preparation of 1, 3, 3a, 7a-Tetrahydroisothianaphthene and Its Application to Tetrahydrothiophene-Fused Porphyrin
Yukiko Katsuyama, Eita Yoshida, Hiroki Uoyama, Noboru Ono, and Hidemitsu Uno
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
9 . 6,8-Dibromo-2-methyl-4H-benzo[d][1,3]oxazin-4-one
C9H5Br2NO2 相似度:55.5%
Molecules 2011 16 10187-10201
Synthesis and Analgesic Activity of Some New Pyrazoles and Triazoles Bearing a 6,8-Dibromo-2-methylquinazoline Moiety
Hosam A. Saad, Nermen A. Osman and Ahmed H. Moustafa
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
10 . 6-Fluoro-8-bromo-2-methyl-4H-3,1-benzoxazin-4-one
相似度:55.5%
Tetrahedron 2012 68 534-543
Preparation of 6-aminoquinazolin-4(3H)-ones via direct SNAr on the quinazoline ring
Bernard Barlaam, Craig S. Harris, Jonathan Lecoq, Ha Thi Hoang Nguyen
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
11 . 4-(3-Oxocyclobutyl)phenyl acetate
C12H12O3 相似度:55.5%
Tetrahedron 2012 68 4145-4151
Baeyer–Villiger Oxidation of Cyclobutanones with 10-Methylacridinium as an Efficient Organocatalyst Original Research Article
Hua-Jian Xu, Feng-Fei Zhu, Yong-Ya Shen, Xin Wan, Yi-Si Feng
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
12 . 2-nitro-4-(1H-tetrazol-1-yl)aniline
C7H6N6O2 相似度:55.5%
Russian Journal of Organic Chemistry 2010 46 291-297
Features of the synthesis of 1,1′-Phenylenebis(1H-tetrazoles) and their transformations in basic environment
A. N. Vorob’ev, A. V. Baranovskii, P. N. Gaponic and O. A. Ivashkevich
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
13 . [4-(1H-tetrazol-1-yl)-2-chlorophenyl]cyanamide
相似度:55.5%
Russian Journal of Organic Chemistry 2010 46 291-297
Features of the synthesis of 1,1′-Phenylenebis(1H-tetrazoles) and their transformations in basic environment
A. N. Vorob’ev, A. V. Baranovskii, P. N. Gaponic and O. A. Ivashkevich
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
14 . 1-isopropylbenzimidazole
C10H12N2 相似度:55.5%
Russian Journal of Organic Chemistry 2003 39 1467-170
Synthesis of 1,3-Dialkylimidazolium and 1,3-Dialkylbenzimidazolium Salts
O. V. Starikova, G. V. Dolgushin, L. I. Larina, P. E. Ushakov and T. N. Komarova, et al.
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
15 . 4-(2-hydroxy-4-methylphenyl)-1,2,3-thiadiazole
C9H8N2OS 相似度:55.5%
Russian Journal of Organic Chemistry 2002 38 1510-1518
4-(2-Hydroxyaryl)-1,2,3-thiadiazoles as a Source of 2-Benzofuranthiolates
M. L. Petrov, W. Dehaen, M. A. Abramov, I. P. Abramova and D. A. Androsov
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
16 . 4-(2-hydroxy-4-methylphenyl)-1,2,3-selenadiazole
C9H8N2OSe 相似度:55.5%
Russian Journal of Organic Chemistry 2001 37 1643-1648
4-(2-Hydroxyaryl)-1,2,3-selenadiazoles as Precursors of Benzofuran-2-selenolates
M. L. Petrov, M. A. Abramov, I. P. Abramova, W. Dehaen and Yu. I. Lyakhovetskii
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
17 . 3-bromo-indazole
相似度:55.5%
Organic Magnetic Resonance 1982 19 225-227
Carbon-13 NMR study of some isomeric n-nitroindazole derivatives
Pauline Cohen-Fernandes, Cornelis Erkelens and Clarisse L. Habraken
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
18 . 3-chloro-4-(2-hydroxyphenoxy)-5-methoxypyridazine
C11H9N2O3 相似度:54.5%
Heterocycles 2004 63 591-608
Reaction of [1,4]Benzodioxinopyridazines with Sodium Methoxide and Amines
Etsuo Oishi,* Chitose Sugiyama, Ken-ichi Iwamoto, and Ikuo Kato
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
19 . Compound 3e
C11H10N2O2 相似度:54.5%
Bioorganic & Medicinal Chemistry Letters 2004 14 611-614
Synthesis and biological evaluation of novel coumarin derivatives with a 7-azomethine linkage
Christos A. Kontogiorgis, Dimitra J. Hadjipavlou-Litina
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
20 . compound 4c
相似度:54.5%
Tetrahedron 2012 68 2414-2420
Well-defined NHC–Pd(II)–Im (NHC=N-heterocyclic carbene; Im=1-methylimidazole) complex catalyzed C–N coupling of primary amines with aryl chlorides
Lei Zhu, Yue-Mei Ye, Li-Xiong Shao
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
21 . compound 4d
相似度:54.5%
Tetrahedron 2012 68 2414-2420
Well-defined NHC–Pd(II)–Im (NHC=N-heterocyclic carbene; Im=1-methylimidazole) complex catalyzed C–N coupling of primary amines with aryl chlorides
Lei Zhu, Yue-Mei Ye, Li-Xiong Shao
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
22 . 7-bromo-2-methoxy-5-(propen-2-yl)quinoline
C13H12BrNO 相似度:53.8%
Bioorganic & Medicinal Chemistry 2010 18 7132-7143
Synthesis and biological activities of new di- and trimeric quinoline derivatives
Sidonie Broch, Hélène Hénon, Anne-Laure Debaud, Marie-Laure Fogeron, Nathalie Bonnefoy-Bérard, Fabrice Anizon, Pascale Moreau
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
23 . 2-methylsulfinyl-3-methylthio-4,5,6-tribromoindole
C10H8Br3NOS2 相似度:50%
Journal of Natural Products 2005 68 815-817
Sulfur-Containing Polybromoindoles from the Formosan Red Alga Laurencia brongniartii
Ali A. El-Gamal, Wei-Lung Wang, and Chang-Yih Duh
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
24 . 3,4,3' ,4' -tetrahydroxy-5,5' -diisopropyl-2,2' -dimethylbiphenyl
相似度:50%
Planta Medica 1996 62 217-221
Antiperoxidative Components in Thymus vulgaris
Hiroyuki Haraguchi, Takashi Saito, Harumi lshikawa, Hideyuki Date, Shizuko Kataoka, Yukiyoshi Tamura,and Kenji Mizutani
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
25 . 4,8,8-Trimethylspiro[2.6]nona-4,6-diene
C12H18 相似度:50%
Helvetica Chimica Acta 1981 64 2598-2605
Photochemical Reactions. 125th communication [1]. Photochemistry of homoconjugated cyclobutanones. I. Synthesis and photolysis of a Spiro [3.6]deca-5, 7-dien-1-one
Terry A. Lyle, Bruno Frei
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
26 . N-acetyl-4-nitrotryptophan methyl ester
相似度:50%
Phytochemistry 1995 40 41-43
4-Nitrotrypophans associated with the in vitro production of thaxtomin A by Streptomyces scabies
Russell R. King, C. Harold Lawrence
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
27 . N,N-Diethyltryptamine
C14H20N2 相似度:50%
Bioorganic & Medicinal Chemistry 2011 19 3120-3127
Tryptamine derivatives as novel non-nucleosidic inhibitors against hepatitis B virus
Shi-Jin Qu , Gui-Feng Wang ,Wen-Hu Duan,Shan-Yan Yao, Jian-Ping Zuo , Chang-Heng Tan ,Da-Yuan Zhu
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
28 . 2-(4-Methoxyphenyl)-1H-benzimidazole
相似度:50%
Canadian Journal of Chemistry 2008 86 1044-1051
Copper-catalyzed one-pot synthesis of benzimidazole derivatives
Hashem Sharghi, Mona Hosseini-Sarvari, and Fatemeh Moeini
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
29 . 1-(2-Aminophenyl)-2,6-di(4-chloro)phenyl-4-phenyl-1,4-dihydropyridine
C29H22Cl2N2 相似度:50%
Canadian Journal of Chemistry 2006 84 1064-1073
A new and efficient one-pot solid-supported synthesis of 1,2,4,6-tetraaryl-1,4-dihydropyridines
Anil K. Verma, Summon Koul, Tej K. Razdan, and Kamal K. Kapoor
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
30 . 2-((4,5-Dihydro-1H-imidazol-2-yl)methyl)-4-methyl-2H-benzotriazole
C11H15Cl2N5 相似度:50%
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
--------------------------------------------------------------------------------
31 . N-(4-chlorophenyl)-N-[1-(3-thienyl)but-3-enyl]amine
C14H14ClNS 相似度:50%
Journal of Heterocyclic Chemistry 2008 45 927-930
An efficient preparation of new homoallylamines and-aminonitriles bearing furyl and thienyl rings
Leonor Y. Vargas Méndez and Vladimir V. Kouznetsov
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
32 . 1-(1-cyano-1-phenylethyl)-3-phenylurea
C16H15N3O 相似度:50%
Journal of Heterocyclic Chemistry 2005 42 899-906
Multinuclear NMR studies and ab initio structure calculations of hindered phencyclone diels-alder adducts from symmetrical cyclic dienophiles: Cyclohexene,vinylene carbonate,vinylene trithiocarbonate and two N-aryl maleimides
Ronald Callahan,Orlando Ramirez III,Kerstin Rosmarion,Robert Rothchild and Kevin C. Bynum
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
33 . 1,2,3,4-tetrahydroquinoline-2-carboxylic acid
C10H11NO2 相似度:50%
Heterocycles 2007 71 2131-2154
Design, Synthesis, and Evaluation of Tetrahydroquinoline-Linked Thiazolidinedione Derivatives as PPARγ Selective Activators
HyeSung Kim, HyoJin Gim, Mihi Yang, Jae-Ha Ryu, and Raok Jeon
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
34 . 2-(4-methylphenyl)benzimidazole
相似度:50%
Heterocycles 2004 63 41-54
Indium-mediated Reductive Inter-molecular Coupling Reaction of 2-Nitroaniline with Aromatic Aldehydes to Benzimidazoles
Byeong Hyo Kim,* Rongbi Han, Ji Sook Kim, Young Moo Jun, Woonphil Baik, and Byung Min Lee
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
35 . N-[1-(Thien-3-yl)but-3-enyl]-N-(4-chlorophenyl)-amine
C14H14ClNS 相似度:50%
Bioorganic & Medicinal Chemistry 2008 16 794-809
Antifungal and cytotoxic activities of some N-substituted aniline derivatives bearing a hetaryl fragment
Vladímir V. Kouznetsov, Leonor Y. Vargas Méndez, Maximiliano Sortino, Yelkaira Vásquez, Mahabir P. Gupta, Mónica Freile, Ricardo D. Enriz, Susana A. Zacchino
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
36 . compound 2a
相似度:50%
Tetrahedron Letters 2003 44 1409-1411
A novel one-pot synthesis of 1,2,4-triazole-3,5-diamine derivatives from isothiocyanates and mono-substituted hydrazines
Chunjian Liu, Edwin J. Iwanowicz
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
37 . compound 2f
C12H12N2O2S 相似度:50%
Tetrahedron Letters 2004 45 2805-2808
Ring-closing metathesis toward the synthesis of 2,5-dihydrofuran and 2,5-dihydropyrrole skeletons from Baylis-Hillman adducts
Jeong Mi Kim, Ka Young Lee, Sangku Lee, Jae Nyoung Kim
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
38 . 6,7,12,13-Tetrahydro-5,7-dioxo-5H-indolo[2,3-a]furo[3,4-C]carbazole
C20H10O3N2 相似度:50%
Bioorganic & Medicinal Chemistry 1993 1 193-196
Protein kinase C inhibitors; Structure—activity relationships in K252c-related compounds
Serge Fabre, Michelle Prudhomme, Maryse Rapp
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
39 . 2-Benzyliden-1-methylpyrrolidin
相似度:50%
Zeitschrift für Naturforschung B 2008 63 985-992
Oxidation of 2-substituted Pyrrolidines and Piperidines as Nicotine Analogues (In German)
H. Möhrle and J. Berlitz
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
40 . compound 14
相似度:50%
Journal of the Chemical Society, Perkin Transactions 1 1984 2523-2528
A kinetic template effect in the metal ion-catalysed reactions of o-bromodiarylazo compounds with tertiary phosphines. 13C n.m.r. and X-ray structural studies of o-phosphoniodiarylazo derivatives.
David W. Allen, Ian W. Nowell, Lorraine A. March and Brian F. Taylor
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
41 . 2-(phenylamino)selenazolo[5,4-b]pyridine
C12H9N3Se 相似度:50%
Heterocycles 2003 61 569-579
Selenium-containing Heterocycles from Isoselenocyanates: Synthesis of 2-Arylaminoselenazolo[5,4-b]pyridines
Plamen K. Atanassov, Anthony Linden, and Heinz Heimgartner*
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
42 . (2E,6E)-2,6-bis((2-fluoropyridine-3-yl)methylene)cyclohexanone
C18H14F2N2O 相似度:50%
Bioorganic & Medicinal Chemistry 2010 18 6701-6707
Synthesis and cytotoxic potential of heterocyclic cyclohexanone analogues of curcumin
Babasaheb Yadav, Sebastien Taurin, Rhonda J. Rosengren, Marc Schumacher, Marc Diederich, Tiffany J. Somers-Edgar, Lesley Larsen
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
43 . 2-(1-hydroxyethyl)-1-methyl-1H-benzimidazole
C10H12N2O 相似度:50%
Bioorganic & Medicinal Chemistry 2009 17 1724-1730
Synthesis and antiprotozoal activity of novel 1-methylbenzimidazole derivatives
David Valdez-Padilla, Sergio Rodríguez-Morales, Alicia Hernández-Campos, Francisco Hernández-Luis, Lilián Yépez-Mulia, Amparo Tapia-Contreras, Rafael Castillo
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
44 . 15-ethoxy-13,17-dihydro-15λ5-dibenzo[e,k] [1,3,7,10,2]dioxadiazaphosphacyclotridecin-15-thione
C18H19N2O3PS 相似度:50%
Journal of Heterocyclic Chemistry 2011 48 317-332
Synthesis and antioxidant activity of novel 15-alkyl/aryl-13, 17-dihydro-15λ5-dibenzo [e, k] [1, 3, 7, 10, 2] dioxadiazaphosphacyclotridecin-15-selones/thiones/ones
K. Reddi Mohan Naidu, M. Anil Kumar, E. Dadapeer, K. Ramesh Babu, C. Naga Raju and S. K. Ghosh
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
45 . 4-amino-N-(4-methylbenzoyl)-2-chlorophenol
C14H12ClNO2 相似度:50%
Russian Journal of Organic Chemistry 2011 47 214-229
Hydrohalogenation of N-acetyl(aroyl)-1,4-benzoquinone monoimines
A. P. Avdeenko, S. A. Konovalova, O. N. Ludchenko, O. P. Ledeneva and A. V. Vakulenko
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
46 . 3,5-diphenylamino-1,2,4-triazole
C14H13N5 相似度:50%
Russian Journal of Organic Chemistry 2004 40 1222-1223
Synthesis and Reactions of 2-Benzoylmethyl-2-phenyl-4,6-di(phenylimino)-5H-1,3,5-dithiazinium Perchlorate
T. E. Glotova, N. I. Protsuk, M. Yu. Dvorko and A.I. Albanov
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
47 . compound 4(R,S)
相似度:50%
Organic Magnetic Resonance 1983 21 487-490
13C NMR spectra of 2,3-dihydro-1H-benzoazepines: Differentiation of diastereomers
Ph. Uriac and J. Huet
Structure 13C NMR 碳谱模拟图 |
|
回复此楼
