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lalalala1220铁杆木虫 (正式写手)
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[求助]
微谱数据查询
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溶解性：DMSO 碳谱数据：24.09,31.19,41.73,65.69,115.46,115.46,129.48,129.48,132.90,155.61 |
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sunwen1111
银虫 (正式写手)
- 应助: 29 (小学生)
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【答案】应助回帖
★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
jiangchunyong: 金币+1, 谢谢 2013-01-04 13:00:22
lalalala1220: 金币+2, ★有帮助 2013-01-05 08:59:15
lalalala1220: 金币+8 2013-01-07 16:47:35
感谢参与，应助指数 +1
jiangchunyong: 金币+1, 谢谢 2013-01-04 13:00:22
lalalala1220: 金币+2, ★有帮助 2013-01-05 08:59:15
lalalala1220: 金币+8 2013-01-07 16:47:35
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查询结果：共查到38个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . odoratumone B C17H16O6 相似度:60% Chinese Chemical Letters 2010 21 706-708 Two new homoisoflavanones from Polygonatum odoratum (Mill.) Druce Yong Qian; Jing Yu Liang; Wei Qu; YanYun Che Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . compound 4f C12H15N3O2S 相似度:60% Heterocycles 2011 83 2275-2287 Utilization of 2-Halo-1,3,4-thiadiazoles in the Synthesis of 2-Functionalized 1,3,4-Thiadiazole Derivatives Xi-Cun Wang,* Jin-Ge Luo, Xiao-Mei Ding, and Zheng-Jun Quan Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . 7-Hydroxy-1,2,3,4-tetrahydroisoquinoline Hydrobromide C9H11NO 相似度:60% Journal of Medicinal Chemistry 1987 30 2208-2216 Inhibition of phenylethanolamine N-methyltransferase (PNMT) by aromatic hydroxy-substituted 1,2,3,4-tetrahydroisoquinolines. Further studies on the hydrophilic pocket of the aromatic ring binding region of the active site Daniel J. Sall, Gary L. Grunewald Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . niduloic acid 相似度:54.5% Natural Product Research and Development 2008 20 765-769 Studies on the Chemical Constituents of the Fruit of Acanthopanax sessiliflorus(Rupr.et Maxim.) Seem. AN Qi; YANG Chun-juan; SONG Yang; YU Kai; XIONG Zhi-li; LI Fa-mei Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . 5-benzoylimino-2,4-dicyanomethyl-3-oxo-2,3,4,5-tetrahydro-1,2,4-thiadiazole C13H9N5O2S 相似度:54.5% Bioorganic & Medicinal Chemistry 2008 16 495-510 Non-ATP competitive glycogen synthase kinase 3β (GSK-3β) inhibitors: Study of structural requirements for thiadiazolidinone derivatives Ana Castro, Arantxa Encinas, Carmen Gil, Stefan Bräse, Williams Porcal, Concepción Pérez, Francisco J. Moreno, Ana Martínez Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . 4-(1-Acetyl-3-4-fluorophenyl-2-pyrazolin-5-yl)phenol C17H15O2N2F 相似度:53.8% Chemistry of Natural Compounds 2012 48 60-65 SYNTHESIS AND ANTITUMOR ACTIVITY OF 1-ACETYL-3-(4-PHENYL)-4,5-DIHYDRO-2-PYRAZOLINE-5-PHENYLURSOLATE AND 4-CHALCONE URSOLATE DERIVATIVES Xue Bai,Wan Qi Shi,Hua Feng Chen,Ping Zhang,Ying Li,and Shu Fan Yin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . Compound 5b C16H14ON3Cl 相似度:53.8% Bioorganic & Medicinal Chemistry Letters 2009 19 1715-1717 Potent inhibitors of Huntingtin protein aggregation in a cell-based assay Alison Rinderspacher, Maria Laura Cremona, Yidong Liu, Shi-Xian Deng, Yuli Xie, Gangli Gong, Nathalie Aulner, Udo Többen, Katherine Myers, Caty Chung, Monique Andersen, Dušica Vidović, Stephan Schürer, Lars Brandén, Ai Yamamoto, Donald W. Landry Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . N-p-hydroxy-cis-coumaroyltyramine 相似度:53.8% Natural Product Research and Development 2007 19 427-429 Studies on the Chemical Constituents of Pharbitis nil Choisy WANG Jin-lan; LI Ling-na; HE Li-dong; ZHANG Shu-jun Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . 3-hydroxymethyl[bis(4-hydroxyphenyl)methylene]cyclohexane C20H22O3 相似度:53.3% Journal of Medicinal Chemistry 2006 49 2496-2511 Fluorine-Substituted Cyclofenil Derivatives as Estrogen Receptor Ligands: Synthesis and Structure−Affinity Relationship Study of Potential Positron Emission Tomography Agents for Imaging Estrogen Receptors in Breast Cancer Jai Woong Seo, John S. Comninos, Dae Yoon Chi, Dong Wook Kim, Kathryn E. Carlson, and John A. Katzenellenbogen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . (3Z,6Z)-3,6,9-decatrienyl sulfate C10H15O4SNa 相似度:50% Journal of Natural Products 1994 Vol 57 1606 Antibacterial and Antifungal Sulfated Alkane and Alkenes from the Hepatopancreas of the Ascidian Halocynthia roretzi Sachiko Tsukamoto, Haruko Kato, Hiroshi Hirota, Nobuhiro Fusetani Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . compound 7b C20H20N2O2S2 相似度:50% Journal of Heterocyclic Chemistry 2008 45 1089-1094 Ketene dithioacetals-source for different heterocycles Venkatapuram Padmavathi,Gali Sudhakar Reddy,Duvvuru Deepti and Adivireddy Padmaja Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . compound 8a C18H15NO3S2 相似度:50% Journal of Heterocyclic Chemistry 2008 45 1089-1094 Ketene dithioacetals-source for different heterocycles Venkatapuram Padmavathi,Gali Sudhakar Reddy,Duvvuru Deepti and Adivireddy Padmaja Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . compound 9a C19H16N2O3S2 相似度:50% Journal of Heterocyclic Chemistry 2008 45 1089-1094 Ketene dithioacetals-source for different heterocycles Venkatapuram Padmavathi,Gali Sudhakar Reddy,Duvvuru Deepti and Adivireddy Padmaja Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . compound 5 相似度:50% Journal of Heterocyclic Chemistry 2002 39 1207-1217 Determination of aromaticity indices of thiophene and furan by nuclear magnetic resonance spectroscopic analysis of their phenyl esters Chang Kiu Lee, Ji Sook Yu and Hye-Jin Lee Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . 6-acetamido-4-chloro-5-cyano-2-methyl-7H-pyrrolo[2,3-c]pyridazin-3(2H)-one C10H8N5O2Cl 相似度:50% Journal of Heterocyclic Chemistry 2000 37 5-10 Synthesis of Novel Acyclonucleosides Containing Pyridazine Jung-Won Park, Deok-Heon Kweon, Young-Jin Kang, Woo Song Lee, Su-Dong Cho and Yong-Jin Yoon Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . N1,N4-bis[6-(isopropylimino)-6λ 5-dibenzo[d,f][1,3,2]dioxa-phosphepin-6-yl]-1,4-benzene-diamine C36H36N4O4P2 相似度:50% Journal of Heterocyclic Chemistry 2010 47 538-542 Synthesis, antioxidant and antimicrobial activity of novel benzene-1,4-diamine-bis-dioxaphosphepine-6λ5 iminophosphoranes M. Veera Narayana Reddy, G. Chandra Sekhar Reddy, K. Suresh Kumar, C. Suresh Reddy and C. Naga Raju Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . 4-(4-fluorophenyl)hexahydro-1H-pyrano[2,3-d]pyrimidin-2(8aH)-one C13H15FN2O2 相似度:50% Journal of Heterocyclic Chemistry 2010 47 687-690 An efficient one-pot three-component synthesis of 4-phenyl hexahydro-1H-pyrano[2,3-d]pyrimidin-2(8aH)-one derivatives Srinivasu V. N. Vuppalapati, Rajashekar Bantu Lingaiah and Srinivas Kantevari Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . 4,4'-(3-pyridinylmethylene)bisphenol C18H15NO2 相似度:50% Journal of Heterocyclic Chemistry 2010 47 1434-1438 Synthesis and antiviral activities of some heteroaryl-substituted triarylmethanes Nobuko Mibu, Kazumi Yokomizo, Takeshi Miyata and Kunihiro Sumoto Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . 6H-[1,3,5]Triazino[2,1-b]quinazolin-2,4-diamine hydrochloride C10H11N6Cl 相似度:50% Heterocycles 2009 78 1761-1775 Synthesis and Heterocyclizations of 3,4-Dihydroquinazolin-2-yl Guanidine in the Search of New Anticancer Agents Anton V. Dolzhenko, Mi Chelle Foo, Bee Jen Tan, Anna V. Dolzhenko, Gigi Ngar Chee Chiu, and Wai Keung Chui Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . compound 3b C13H15N5OS 相似度:50% Heterocycles 2007 71 2363-2376 A Novel Method for N3-Functionalized Aminoimidazolines and Aminopyrimidines by Aza-Michael Additions of Aminoimidazolines and Aminopyrimidines to α, β-Unsaturated Carbonyl Compounds Xi-Cun Wang, Cheng-Wei Lv, Zheng-Jun Quan, Guo-Li Huang, and Wen-Long Yang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 21 . Desmethyl AR-A014418 C11H10N4O4S 相似度:50% Bioorganic & Medicinal Chemistry Letters 2005 15 5270-5273 Synthesis and ex vivo evaluation of carbon-11 labelled N-(4-methoxybenzyl)-N′-(5-nitro-1,3-thiazol-2-yl)urea ([11C]AR-A014418): A radiolabelled glycogen synthase kinase-3β specific inhibitor for PET studies Neil Vasdev, Armando Garcia, Winston T. Stableford, Alex B. Young, Jeffrey H. Meyer, Sylvain Houle, Alan A. Wilson Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 22 . 5-(4-Chlorobenzyl)-4-(3-{4-[3-(3-methyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)propyl] piperazin-1-yl}propyl)-2,4-dihydro-3H-1,2,4-triazol-3-one C28H34Cl2N8O2 相似度:50% Molecules 2010 15 2427-2438 Synthesis and Antimicrobial Activities of Some New 1,2,4-Triazole Derivatives Hakan Bektaş, Nesrin Karaali, Deniz Şahin, Ahmet Demirbaş, Şengül Alpay Karaoglu and Neslihan Demirbaş Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 23 . 3-(4-hydroxyphenyl)-1,2-propandiol C9H12O3 相似度:50% Journal of Shenyang Pharmaceutical University 2011 28 30-36 Isolation and identification of quinones constituents from root cortex of Morinda officinalis How. LI Chen-yang, GAO Hao, JIAO Wei-hua, DING Bo, LI Xiao-bin, YAO Xin-sheng Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 24 . 2-(2-Nitrobenzyl)malononitrile C10H7N3O2 相似度:50% Heterocycles 2011 83 371-383 The Synthesis of Some Derivatives Based on the 4-Benzyl-1H-pyrazole-3,5-diamine Core Lukáš Jedinák, Vladimír Kryštof, and Petr Cankař Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 25 . compound 4b C11H13N3OS 相似度:50% Heterocycles 2011 83 2275-2287 Utilization of 2-Halo-1,3,4-thiadiazoles in the Synthesis of 2-Functionalized 1,3,4-Thiadiazole Derivatives Xi-Cun Wang,* Jin-Ge Luo, Xiao-Mei Ding, and Zheng-Jun Quan Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 26 . compound 4e C12H15N3OS 相似度:50% Heterocycles 2011 83 2275-2287 Utilization of 2-Halo-1,3,4-thiadiazoles in the Synthesis of 2-Functionalized 1,3,4-Thiadiazole Derivatives Xi-Cun Wang,* Jin-Ge Luo, Xiao-Mei Ding, and Zheng-Jun Quan Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 27 . compound 6f C11H17N3O3S 相似度:50% Zeitschrift für Naturforschung B 2007 62 721-724 A Convenient Procedure for the Preparation of Sulfonamidoureas Using Triphosgene J. Safaei-Ghomi, A. Bamoniri, and A. Abbaszadeh-Nooshabady Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 28 . (E)-3-Phenyl-2-(1H-tetrazole-5-yl) acrylonitrile C10H7N5 相似度:50% Tetrahedron 2012 68 1769-1773 Catalyst-free, aqueous and highly diastereoselective synthesis of new 5-substituted 1H-tetrazoles via a multi-component domino Knoevenagel condensation/1,3 dipolar cycloaddition reaction Zeinab Noroozi Tisseh, Minoo Dabiri, Mohsen Nobahar, Hamid Reza Khavasi, Ayoob Bazgir Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 29 . 4,4'-(4-phenylpyridine-2,6-diyl)diphenol 相似度:50% Bioorganic & Medicinal Chemistry 2010 18 3066-3077 Synthesis, topoisomerase I and II inhibitory activity, cytotoxicity, and structure–activity relationship study of hydroxylated 2, 4-diphenyl-6-aryl pyridines Radha Karki, Pritam Thapa, Mi Jeong Kang, Tae Cheon Jeong, Jung Min Nam, Hye-Lin Kim, Younghwa Na, Won-Jea Cho, Youngjoo Kwon, Eung-Seok Lee Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 30 . (E)-3,5-di(trifluoroacetylamino)-4'-fluorostilbene C18H11N2O2F7 相似度:50% Bioorganic & Medicinal Chemistry 2009 17 4510-4522 Synthesis, structural characterisation and biological evaluation of fluorinated analogues of resveratrol Brian W. Moran, Frankie P. Anderson, Aoife Devery, Stephen Cloonan, William E. Butler, Sunil Varughese, Sylvia M. Draper, Peter T.M. Kenny Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 31 . 4-(4-chloro-phenyl)-6-methyl-pyridine-2,5-dicarbonitrile C14H8ClN3H 相似度:50% Journal of Heterocyclic Chemistry 2011 48 792-798 A simple, diversity oriented synthesis of highly substituted pyridines Katarzyna Kaczanowska, Holger Eickhoff, Klaus Albert, Karl-Heinz Wiesmüller and Arnaud-Pierre Schaffner Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 32 . 3-(N-methylaminomethyl)-1,4,5,6-tetrahydrocyclopentapyrazole dihydrochloride C8H13N3 相似度:50% Russian Journal of Organic Chemistry 2011 47 1199-1203 Synthesis of 3-aminomethyl-substituted pyrazoles and isoxazoles D. M. Musatov, E. V. Starodubtseva, A. K. Rakishev, O. V. Turova and M. G. Vinogradov Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 33 . 4-[(propylamino) methyl] phenol 相似度:50% Food Chemistry 2012 130 945-952 Novel caffeic acid amide antioxidants: Synthesis, radical scavenging activity and performance under storage and frying conditions Felix Aladedunye, Yohann Catel, Roman Przybylski Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 34 . 4-(2-ethoxyethyl)phenol C10H14O2 相似度:50% 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 -------------------------------------------------------------------------------- 35 . 4-(2-butoxyethyl)phenol C12H18O2 相似度:50% 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 -------------------------------------------------------------------------------- 36 . 1-(4-methoxyphenyl)cyclopentylamine hydrochloride C12H17NO 相似度:50% European Journal of Organic Chemistry 2010 1574-1578 1-Substituted Cyclopentylamines from Nitriles and Tetramethylenebismagnesium Dibromide in the Presence of Ti(OiPr)4 Olesya A. Tomashenko, Andrei E. Rudenko, Viktor V. Sokolov, Alexander A. Tomashevskiy and Armin de Meijere Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 37 . bis(4-hydroxyphenyl)methylenecyclohexane C19H20O2 相似度:50% Journal of Medicinal Chemistry 2006 49 2496-2511 Fluorine-Substituted Cyclofenil Derivatives as Estrogen Receptor Ligands: Synthesis and Structure−Affinity Relationship Study of Potential Positron Emission Tomography Agents for Imaging Estrogen Receptors in Breast Cancer Jai Woong Seo, John S. Comninos, Dae Yoon Chi, Dong Wook Kim, Kathryn E. Carlson, and John A. Katzenellenbogen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 38 . compound 7b C15H6ClN5O3 相似度:50% Journal of the Brazilian Chemical Society 2009 20 1275-1286 Synthesis, Chemical Reactivity and Fungicidal Activity of Pyrido[1,2-b][1,2,4] triazine Derivatives Magdy A. Ibrahim, Reda M. Abdel-Rahman, Ali M. Abdel-Halim, Salah S. Ibrahim, Hassan A. Allimony Structure 13C NMR 碳谱模拟图 |
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