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微谱求助AC-1 谢谢 已有1人参与
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溶剂 甲醇 60.8,113.4,116.8,118.0,119.6,120.3,123.6,127.8,129.0,130.3,139.9,141.7,147.8,148.6,148.7,151.4, |
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jiangtao2956
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【答案】应助回帖
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感谢参与，应助指数 +1
冷水热带鱼: 金币+10, ★★★★★最佳答案 2015-01-02 18:35:55
感谢参与，应助指数 +1
冷水热带鱼: 金币+10, ★★★★★最佳答案 2015-01-02 18:35:55
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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2872个化合物(查询结果仅供参考) 1 . 4-Amino-1,2-dihydro-2-(3-nitrophenyl)pyrimido[1,2-a]benzimi- dazole-3-carbonitrile C17H12N6O2 相似度:70.5% Journal of Heterocyclic Chemistry 2005 42 1111-1116 The reaction of amino-imidazoles,-pyrazoles and-triazoles with,β-unsaturated nitriles Sergey A. Komykhov,Konstantin S. Ostras,Alvard R. Kostanyan,Sergey M. Desenko,Valery D. Orlov and Herbert Meier Structure 13C NMR 碳谱模拟图 2 . 4-Amino-2-(4-fluorophenyl)-1,2-dihydropyrimido[1,2-a]benz- imidazole-3-carbonitrile C17H12FN5 相似度:68.7% Journal of Heterocyclic Chemistry 2005 42 1111-1116 The reaction of amino-imidazoles,-pyrazoles and-triazoles with,β-unsaturated nitriles Sergey A. Komykhov,Konstantin S. Ostras,Alvard R. Kostanyan,Sergey M. Desenko,Valery D. Orlov and Herbert Meier Structure 13C NMR 碳谱模拟图 3 . compound 8b C18H17ClN6O 相似度:68.7% Journal of Heterocyclic Chemistry 2000 37 355-361 Synthesis of new 2,2'-disubstituted 5,5'-dimethyl-4,4'-bitriazoles and 2-(4-Triazolyl)quinoxalines Francesco Paolo Invidiata, Stefania Aiello, Giancarlo Furno', Enrico Aiello, Daniele Simoni and Riccardo Rondanin Structure 13C NMR 碳谱模拟图 4 . 2-(4-pyridinyl)-N-(4-(methylsulfonyl)phenyl)-imidazo[1,2-a]pyridin-3-amine C19H16N4O2S 相似度:68.7% Bioorganic & Medicinal Chemistry 2009 17 74-84 Discovery of novel analgesic and anti-inflammatory 3-arylamine-imidazo[1,2-a]pyridine symbiotic prototypes Renata B. Lacerda, Cleverton K.F. de Lima, Leandro L. da Silva, Nelilma C. Romeiro, Ana Luisa P. Miranda, Eliezer J. Barreiro, Carlos A.M. Fraga Structure 13C NMR 碳谱模拟图 5 . 4-amino-2-(4-chlorophenyl)-2,10-dihydropyrimido [1,2-a][1,3]benzimidazol-3-yl cyanide C17H12ClN5 相似度:68.7% Journal of Heterocyclic Chemistry 2011 48 915-920 Chemoselective synthesis of 4-oxo-2-aryl-4,10-dihydropyrimido [1,2-a][1,3]benzimidazol-3-yl cyanides via [3+3] atom combination of 2-aminobenzimidazole with ethyl--cyanocinnamoates Hassan Sheibani and Fahimeh Hassani Structure 13C NMR 碳谱模拟图 6 . nudol 相似度:68.7% Journal of Chromatography A 2011 1218 3124-3128 Elution–extrusion counter-current chromatography separation of five bioactive compounds from Dendrobium chrysototxum Lindl ShuCai Li, Shichao He, Shijie Zhong, Xingmei Duan, Haoyu Ye, Jie Shi, Aihua Peng, Lijuan Chen Structure 13C NMR 碳谱模拟图 7 . 2-[2-(3-Hydroxyphenyl)vinyl]quinolin-8-ol C17H13NO2 相似度:68.7% Bioorganic & Medicinal Chemistry 2012 20 6960-6968 Contribution to investigation of antimicrobial activity of styrylquinolines Wioleta Cieslik, Robert Musiol, Jacek E. Nycz, Josef Jampilek, Marcela Vejsova, Mariusz Wolff, Barbara Machura, Jaroslaw Polanski Structure 13C NMR 碳谱模拟图 8 . 2-bromo-5-phenylindazolo[3,2-b]quinazolinone C20H12BrN3O 相似度:66.6% Tetrahedron 2013 69 9852-9856 Copper-catalyzed intramolecular C–N bond formation reaction of 3-amino-2-(2-bromophenyl)dihydroquinazolinones: synthesis of indazolo[3,2-b]quinazolinones Original Research Article Weiguang Yang, Leping Ye, Dayun Huang, Miaochang Liu, Jinchang Ding, Jiuxi Chen, Huayue Wu Structure 13C NMR 碳谱模拟图 9 . 5-(4,5-dimethoxy-2-iodophenyl)-4-(2-hydroxyphenyl)-1-phenylpyrazole C23H19IN2O3 相似度:65% Tetrahedron Letters 2000 41 4353-4356 Dibenzoxepino[4,5-d]pyrazoles: a facile approach via the Ullmann-ether reaction Roberto Olivera, Raul SanMartin, Esther Domínguez Structure 13C NMR 碳谱模拟图 10 . 2-(4-nitrophenyl)benzimidazole-5-carboxylic acid C14H9N3O4 相似度:64.7% Journal of Heterocyclic Chemistry 2009 46 74-78 Solvent-free chemoselective synthesis of some novel substituted 2-arylbenzimidazoles using amino acid-based prolinium nitrate ionic liquid as catalyst Shahnaz Rostamizadeh,Reza Aryan,Hamid Reza Ghaieni and Ali Mohammad Amani Structure 13C NMR 碳谱模拟图 11 . 7-methoxy-5-(7-methoxy-2-phenyl(10,3a-dihydro-1,3,4-oxadia-zolino[3,2-a]quinazolin-6yl)oxy)-2-phenyl-4,5,10,3a-tetrahydro-1,3,4-oxadiazilino[3,2-a]quinazolin-6-ol C32H26N6O2 相似度:64.7% Journal of Heterocyclic Chemistry 2005 42 487-491 A single pot synthesis of new dimeric 2-phenyl-10,3a-dihydro-1,3,4-oxadiazolino[3,2-a]quinazolin-6-ols Anil Kumar,Summon Koul,T. K. Razdan and C. S. Andotra Structure 13C NMR 碳谱模拟图 12 . 2,5,6-trihydroxy-9-phenylphenalen-1-one 相似度:64.7% Phytochemistry 2013 91 165-176 Biosynthesis of tetraoxygenated phenylphenalenones in Wachendorfia thyrsiflora Tobias Munde, Silke Brand, William Hidalgo, Ravi K. Maddula, Aleš Svatoš, Bernd Schneider Structure 13C NMR 碳谱模拟图 13 . 7-hydroxy-8-methoxy-2,3-methylenedioxybenzo[c]phenanthridine C19H13NO4 相似度:63.1% Heterocycles 2007 73 769-775 Synthesis of Isodecarine Jakub Styskala, Petr Cankar, Miroslav Soural, Jan Hlavac, Pavel Hradil, Jaroslav Vicar, and Vilim Simanek Structure 13C NMR 碳谱模拟图 14 . isosalviamine A C19H13NO2 相似度:63.1% Heterocycles 2006 68 159-165 New Abietane Diterpene Alkaloids Possessing an Oxazole Ring from Salvia trijuga Fu-Wen Lin, Amooru G. Damu, and Tian-Shung Wu* Structure 13C NMR 碳谱模拟图 15 . compound 13 C21H18BrN3S 相似度:63.1% Pharmazie 2000 55 803-810 Synthesis, antimicrobial testing and QSAR study of new 2-phenylethenylbenzothiazolium salts substituted by cyclic amines P. Magdolen - P. Zahradník - P. Foltínová Structure 13C NMR 碳谱模拟图 16 . 4-[(1S)-1-phenyl-2-propenyl]-1,3-benzenediol C15H14O2 相似度:62.5% Journal of Natural Products 2008 71(1) 98-101 Nitric Oxide Production Inhibitory Activity of Flavonoids Contained in Trunk Exudates of Dalbergia sissoo Suraj Prakash Shrestha, Yuri Amano, Yuji Narukawa, and Tadahiro Takeda Structure 13C NMR 碳谱模拟图 17 . open-chain neoflavonoid 9 C15H14O2 相似度:62.5% Journal of Natural Products 2005 68 858-864 Neoflavonoids and Related Constituents from Nepalese Propolis and Their Nitric Oxide Production Inhibitory Activity Suresh Awale, Suraj Prakash Shrestha, Yasuhiro Tezuka,Jun-ya Ueda, Katsumichi Matsushige, and Shigetoshi Kadota Structure 13C NMR 碳谱模拟图 18 . open-chain neoflavonoid 10 C15H14O2 相似度:62.5% Journal of Natural Products 2005 68 858-864 Neoflavonoids and Related Constituents from Nepalese Propolis and Their Nitric Oxide Production Inhibitory Activity Suresh Awale, Suraj Prakash Shrestha, Yasuhiro Tezuka,Jun-ya Ueda, Katsumichi Matsushige, and Shigetoshi Kadota Structure 13C NMR 碳谱模拟图 19 . tetrahydromethoxychalcone C16H14O6 相似度:62.5% Chemical & Pharmaceutical Bulletin 1997 45 1485-1492 Phenolic Constituents of Liquorice. VII. A New Chalcone with a Potent Radical Scavenging Activity and Accompanying Phenolics from Liquorice Tsutomu HATANO,Miyuki TAKAGI,Hideyuki ITO and Takashi YOSHIDA Structure 13C NMR 碳谱模拟图 20 . securixanthone D C15H12O5 相似度:62.5% Acta Botanica Sinica 2003 45 365-368 Two New Xanthones from the Stems of Securidaca inappendiculata YANG Xue-Dong XU Li-Zhen YANG Shi-Lin Structure 13C NMR 碳谱模拟图 21 . 1,2-dimethoxy-5-hydroxyxanthone C15H12O5 相似度:62.5% Phytochemistry 1998 47 1661-1663 Xanthones from the twigs of Mammea siamensis Onoomar Poobrasert, Howard L. Constant, Christopher W. W. Beecher, Norman R. Farnsworth, A. Douglas Kinghorn, John M. Pezzuto, Geoffrey A. Cordell, Thawatchai Santisuk, Vichai Reutrakul Structure 13C NMR 碳谱模拟图 22 . (2-Methoxy-phenyl)-quinolin-2-yl-amine C16H14N2O 相似度:62.5% Bioorganic & Medicinal Chemistry 2011 19 939-950 Microwave-assisted synthesis of quinoline, isoquinoline, quinoxaline and quinazoline derivatives as CB2 receptor agonists Raimo Saari, Jonna-Carita Törmä, Tapio Nevalainen Structure 13C NMR 碳谱模拟图 23 . Isoquinolin-1-yl-(3-trifluoromethyl-phenyl)-amine C16H11F3N2 相似度:62.5% Bioorganic & Medicinal Chemistry 2011 19 939-950 Microwave-assisted synthesis of quinoline, isoquinoline, quinoxaline and quinazoline derivatives as CB2 receptor agonists Raimo Saari, Jonna-Carita Törmä, Tapio Nevalainen Structure 13C NMR 碳谱模拟图 24 . Nudol 相似度:62.5% Chemistry of Natural Compounds 2012 48 168-169 CHEMICAL CONSTITUENTS OF Eria spicata Liqin Wang,Mingmei Wu,Jian Huang,Jihua Wang,Yegao Chen,and Benlin Yin1 Structure 13C NMR 碳谱模拟图 25 . 1,1'-diphenyl-2,3'-bipyrrole C20H17N2 相似度:62.5% Chemical & Pharmaceutical Bulletin 2009 57 710-713 Clean and Direct Synthesis of α,α′-Bithiophenes and Bipyrroles by Metal-Free Oxidative Coupling Using Recyclable Hypervalent Iodine(III) Reagents Toshifumi Dohi, Koji Morimoto, Chieko Ogawa, Hiromichi Fujioka and Yasuyuki Kita Structure 13C NMR 碳谱模拟图 26 . compound 3a C18H18N4O 相似度:62.5% Journal of Heterocyclic Chemistry 2009 46 39-43 Synthesis of substituted 4-(5-alkyl-thiazol-2-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazines and 5-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-4-methyl-1-phenyl-1H-pyrazol-3-ylamine Pushpak Mizar and Bekington Myrboh Structure 13C NMR 碳谱模拟图 27 . 5-chloro-3,3-dimethyl-2-(1-phenyl-1H-pyrazol-4-yl)-3H-indole C19H16ClN3 相似度:62.5% Journal of Heterocyclic Chemistry 2006 43 1591-1595 The synthesis of 3,3-dimethyl-2-(1-aryl-1h-pyrazol-4-yl)-3h-indoles Mehdi M. Baradarani,Arash Afghan,Farideh Zebarjadi,Kamal Hasanzadeh and John A. Joule Structure 13C NMR 碳谱模拟图 28 . 7-methoxy-2-phenyl-10,3a-dihydro-1,3,4-oxadiazolino[3,2-a]-quinazolin-6-ol C16H13O3N3 相似度:62.5% Journal of Heterocyclic Chemistry 2005 42 487-491 A single pot synthesis of new dimeric 2-phenyl-10,3a-dihydro-1,3,4-oxadiazolino[3,2-a]quinazolin-6-ols Anil Kumar,Summon Koul,T. K. Razdan and C. S. Andotra Structure 13C NMR 碳谱模拟图 29 . 4-Amino-1,2-dihydro-2-phenylpyrimido[1,2-a]benzimidazole-3- carbonitrile C17H13N5 相似度:62.5% Journal of Heterocyclic Chemistry 2005 42 1111-1116 The reaction of amino-imidazoles,-pyrazoles and-triazoles with,β-unsaturated nitriles Sergey A. Komykhov,Konstantin S. Ostras,Alvard R. Kostanyan,Sergey M. Desenko,Valery D. Orlov and Herbert Meier Structure 13C NMR 碳谱模拟图 30 . compound 14e 相似度:62.5% Journal of Heterocyclic Chemistry 2005 42 1111-1116 The reaction of amino-imidazoles,-pyrazoles and-triazoles with,β-unsaturated nitriles Sergey A. Komykhov,Konstantin S. Ostras,Alvard R. Kostanyan,Sergey M. Desenko,Valery D. Orlov and Herbert Meier Structure 13C NMR 碳谱模拟图 31 . 2-[1-(benzotriazol-1-yl)-3-butenyl]-phenylamine C16H16N4 相似度:62.5% Journal of Heterocyclic Chemistry 2010 47 98-111 n-Butyllithium-mediated reactions of 1-(2-azidoarylmethyl)- 1H-benzotriazoles with alkyl halides Taehoon Kim and Kyongtae Kim Structure 13C NMR 碳谱模拟图 32 . compound 6 相似度:62.5% Heterocycles 2010 80 873-877 Synthesis of Zanthoxyline and Its Related Compounds: Revision of the Reported Structure Hitoshi Abe, Naoko Kobayashi, Yasuo Takeuchi, and Takashi Harayama Structure 13C NMR 碳谱模拟图 33 . decarine 相似度:62.5% Heterocycles 2010 80 873-877 Synthesis of Zanthoxyline and Its Related Compounds: Revision of the Reported Structure Hitoshi Abe, Naoko Kobayashi, Yasuo Takeuchi, and Takashi Harayama Structure 13C NMR 碳谱模拟图 34 . 3-(5-chloro-2H-1,2,3-benzotriazol-2-yl)-4-biphenylol C18H12ClN3O 相似度:62.5% Heterocycles 2009 78 2579-2588 One-Pot Synthesis of Benzotriazoles and Benzotriazole 1-Oxides by Reductive Cyclization of o-Nitrophenylazo Compounds with Benzyl Alcohol Renata Farkas, Mercedes Törincsi, Pal Kolonits, Oscar Jimenez Alonso, and Lajos Novak Structure 13C NMR 碳谱模拟图 35 . compound 5c C18H12FNO2 相似度:62.5% Heterocycles 2007 71 543-548 A Simple and Environmentally Benign Method for the Synthesis of Naphthoxazin-3-one Derivatives Minoo Dabiri, Akram Sadat Delbari, and Ayoob Bazgir Structure 13C NMR 碳谱模拟图 36 . 1-acetyl-2-(3-cyanophenyl)dihydroindazole C16H13N3O 相似度:62.5% Heterocycles 2007 71 1755-1763 Synthesis of 2-Aryl-2H-indazoles via Copper(I)-Catalyzed Intramolecular Amination Reaction Rui Liu, Yong-ming Zhu, Lie-na Qin, Shun-jun Ji, and Hajime Katayama Structure 13C NMR 碳谱模拟图 37 . bis(5-nitroindol-3-yl)(4'-nitrophenyl)methane C23H15N5O6 相似度:62.5% Heterocycles 2006 68 331-338 A New Catalytic Application of a Keggin Acid in the Synthesis of Symmetrical Bis(indolyl)alkanes Manas Chakrabarty,* Ajanta Mukherji, Sulakshana Karmakar, Shiho Arima, and Yoshihiro Harigaya Structure 13C NMR 碳谱模拟图 38 . 8-(2-furyl)-5,6-dihydro-6-phenyl-3-(pyridin-4-yl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazepine C21H17N5OS 相似度:62.5% Heterocycles 2006 68 1901-1907 Accelerated Synthesis of Novel 1,2,4-Triazolo[3,4-b][1,3,4]thiadiazepines under Microwave Irradiation Ahmet Çetin Structure 13C NMR 碳谱模拟图 39 . 1-amino-3-quinolylbenzene C15H12N2 相似度:62.5% Heterocycles 2005 65 2505-2511 Synthesis of Quinolyl- and Isoquinolyl Heteroarylamines Using Palladium Catalyzed Suzuki Cross-Coupling Reaction Ihl Young Choi Lee,* Myung Hee Jung, Hee-Jeong Lim, and Hyo Won Lee* Structure 13C NMR 碳谱模拟图 40 . Compound 5 相似度:62.5% Bioorganic & Medicinal Chemistry Letters 2005 15 3782-3786 Synthesis of novel curcumin mimics with asymmetrical units and their anti-angiogenic activity Ho Bum Woo, Woon-Seob Shin, Seokjoon Lee, Chan Mug Ahn Structure 13C NMR 碳谱模拟图 41 . 3-(5-((1H-Imidazol-1-yl)methyl)pyridin-2-yl)ben-zeneamine 相似度:62.5% Bioorganic & Medicinal Chemistry 2008 16 1992-2010 Synthesis, biological evaluation and molecular modelling studies of methyleneimidazole substituted biaryls as inhibitors of human 17α-hydroxylase-17,20-lyase (CYP17). Part I: Heterocyclic modifications of the core structure Carsten Jagusch, Matthias Negri, Ulrike E. Hille, Qingzhong Hu, Marc Bartels, Kerstin Jahn-Hoffmann, Mariano A.E. Pinto-Bazurco Mendieta, Barbara Rodenwaldt, Ursula Müller-Vieira, Dirk Schmidt, Thomas Lauterbach, Maurizio Recanatini, Andrea Cavalli, Rolf Structure 13C NMR 碳谱模拟图 42 . Compound 5 相似度:62.5% Magnetic Resonance in Chemistry 2010 48 585-592 Structural investigation on phenyl- and pyridin-2-ylamino(methylene)naphthalen-2(3H)-one. Substituent effects on the NMR chemical shifts (pages 585–592) Taracad K. Venkatachalam, Gregory K. Pierens, Marc R. Campitelli and David C. Reutens Structure 13C NMR 碳谱模拟图 43 . 1-(3-nitrophenyl)-3-phenylurea C13H11N3O3 相似度:62.5% Magnetic Resonance in Chemistry 2005 43 389-397 1H, 13C and 19F NMR spectroscopy of polyfluorinated ureas. Correlations involving NMR chemical shifts and electronic substituent effects Antonio Abad, Consuelo Agulló, Ana C. Cuñat and Cristina Vilanova Structure 13C NMR 碳谱模拟图 44 . compound 7n C17H12FNO5 相似度:62.5% Pharmazie 2003 58 83-94 Antimycobacterial 3-aryl-2H-1,3-benzoxazine-2,4(3H)-diones K. Waisser - O. Bures - P. Holy - J. Kunes - R. Oswald - L. Jirásková - M. Pour - V. Klimesová - K. Palát, Jr. - J. Kaustová - H.-M. Danse - U. Möllmann Structure 13C NMR 碳谱模拟图 45 . 9,9-bis[4-(4-nitrophenoxy)phenyl]xanthene C37H24N2O7 相似度:62.5% Chinese Chemical Letters 2010 21 242-244 A novel soluble polyamide containing xanthene structure and trifluoromethylphenoxy pendent Zhen Zhong Huang; Xue Mei Wan; Hai Bo Xiao; Shou Ri Sheng; Cai Sheng Song Structure 13C NMR 碳谱模拟图 46 . compound 2a 相似度:62.5% Tetrahedron Letters 2001 42 4405-4407 Sc(OTf)3-catalyzed diastereoselective synthesis of 3,4-dihydro-4-amino-2H-1-benzopyrans J.S Yadav, B.V.Subba Reddy, K.Chandra Sekhar, V Geetha Structure 13C NMR 碳谱模拟图 47 . compound 8 C28H15N2Br 相似度:62.5% Tetrahedron Letters 2002 43 7431-7434 Stepwise construction of pyrene bridged polytopic ligands carrying acetylenic tethers Abderrahim Khatyr, Raymond Ziessel Structure 13C NMR 碳谱模拟图 48 . N,N-Bis-(2-trifluoromethoxy-9-acridinyl)-1,8-diamino-3,6-dioxaoctane C34H27F6NO4 相似度:62.5% Archiv der Pharmazie 2009 342 699-709 Synthesis of Monomeric and Dimeric Acridine Compounds as Potential Therapeutics in Alzheimer and Prion Diseases René Csuk, Alexander Barthel, Christian Raschke, Ralph Kluge, Dieter Ströhl, Lothar Trieschmann and Gerald Böhm Structure 13C NMR 碳谱模拟图 49 . (E)-8-Hydroxy-2-[2-(3,4-dihydroxyphenyl)ethenyl]quinazoline 相似度:62.5% Archiv der Pharmazie 2002 335 277-282 Styrylquinazoline Derivatives as HIV-1 Integrase Inhibitors Jae Yeol Lee, Jang Hyun Park, Sook Ja Lee, Hokoon Park and Yong Sup Lee Structure 13C NMR 碳谱模拟图 50 . 5-((6,8-Dibromo-2-methylquinazolin-4-yloxy)methyl)-4-phenyl-4H-1,2,4-triazole-3-thiol C18H13Br2N5OS 相似度:62.5% 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 |
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