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yyd7777777铁虫 (小有名气)
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[求助]
微谱数据求助——三个化合物 谢谢！
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化合物1 溶剂MeOD 20.51,21.24,31.90,46.23,51.83,52.30,58.74,120.89,121.75,122.65,126.13,127.17,127.79,127.88,128.05,128.08,130.22,135.74,150.27,160.45,162.47,165.50 化合物2 溶剂MeOD 18.10,31.14,32.56,45.61,64.37,80.86,121.93,127.19,128.12,128.13,135.70,150.55,153.99,160.44,162.63 化合物3 溶剂MeOD 20.12,32.30,46.70,49.80,50.20,59.43,119.37,121.47,123.95,125.13,126.67,127.17,127.86,128,130.47,135.88,144.71,150.10,160.80,162.24,165.11 |
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yyd7777777
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7楼2013-07-10 11:49:25
wangkaibo123
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第一个 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951个化合物(查询结果仅供参考) 1 . dipegine C22H20N4O 相似度:77.2% Chemistry of Natural Compounds 2000 36 602-605 ALKALOIDS OF Peganum harmala M. F. Faskhutdinov, M. V. Telezhenetskaya,M. G. Levkovich, and N. D. Abdullaev Structure 13C NMR 碳谱模拟图 2 . acetic acid 2-(4-acetoxy-phenyl)-3-phenyl-chroman-4-yl ester 相似度:63.6% Bioorganic & Medicinal Chemistry 2009 17 6832-6840 Synthesis and biological evaluation of 2,3,4-triarylbenzopyran derivatives as SERM and therapeutic agent for breast cancer Shailesh Kumar, Shreekant Deshpande, Vishal Chandra, Shakti Kitchlu, Anila Dwivedi, Vadithe Lakshma Nayak, Rituraj Konwar, Yenamandra S. Prabhakar, Devi Prasad Sahu Structure 13C NMR 碳谱模拟图 3 . Dimethyl-4b,10b-dihydrobenzo[5,6]cyclopropa[3,4]pentaleno[1,2-a]naphthalene-4c,10d-dicarboxylate C24H18O4 相似度:62.5% Canadian Journal of Chemistry 2009 87 619-626 Controlling the regioselectivity of the di-p-methane rearrangements of 1,2-naphtho-annelated barrelene derivatives -Solution versus solid-state photochemistry Jia Luo, Heiko Ihmels, Hans-Jo¨ rg Deiseroth, and Marc Schlosser Structure 13C NMR 碳谱模拟图 4 . 5,6-dimethyl-1-(naphthalen-1-ylmethyl)-2-(pyridin-4-yl)-1H-benzo[d]imidazole C25H21N3 相似度:60.8% Molecules 2013 18 3972-4001 Design, Synthesis, Binding and Docking-Based 3D-QSAR Studies of 2-Pyridylbenzimidazoles—A New Family of High Affinity CB1 Cannabinoid Ligands Jaime A. Mella-Raipán, Carlos F. Lagos, Gonzalo Recabarren-Gajardo, Christian Espinosa-Bustos, Javier Romero-Parra, Hernán Pessoa-Mahana, Patricio Iturriaga-Vásquez and Carlos David Pessoa-Mahana Structure 13C NMR 碳谱模拟图 5 . salviamine D C22H19NO5 相似度:59.0% Journal of Natural Products 2006 69(1) 93-96 Abietane Diterpene Alkaloids from Salvia Yunnanensis Fu-Wen Lin, Amooru G. Damu, and Tian-Shung Wu Structure 13C NMR 碳谱模拟图 6 . 5-Ethyl-6-(2-methylbenzyl)-1-{[(3-phenylprop-2-ynyl)oxy]methyl}uracil C24H24N2O3 相似度:59.0% Helvetica Chimica Acta 2009 92 1385-1403 Synthesis and Anti-HIV-1 Evaluation of New Sonogashira-Modified Emivirine (MKC-442) Analogues Krzysztof Danel, Per T. Jørgensen, Erik B. Pedersen, Paolo La Colla, Gabriella Collu, Roberta Loddo Structure 13C NMR 碳谱模拟图 7 . compound 4c C30H25NO4 相似度:59.0% Bioorganic & Medicinal Chemistry Letters 2011 21 977-979 Biological evaluation of KRIBB3 analogs as a microtubule polymerization inhibitor Sangku Lee, Jae Nyoung Kim, Hyeong Kyu Lee, Kab Seog Yoon, Ki Deok Shin,Byoung-Mog Kwon, Dong Cho Han Structure 13C NMR 碳谱模拟图 8 . compound 11S 相似度:59.0% Canadian Journal of Chemistry 2006 84 1487-1503 An examination of VANOL, VAPOL, and VAPOL derivatives as ligands for asymmetric catalytic Diels-Alder reactions1 Douglas P. Heller, Daniel R. Goldberg, Hongqiao Wu, and William D. Wulff Structure 13C NMR 碳谱模拟图 9 . (Z)-3-(2,3-dihydro-2-phenylbenzo[1,4]thiazepin-4(5H)-ylidene)chroman-2-one C24H19NO2S 相似度:59.0% Journal of Heterocyclic Chemistry 2007 44 1453-1458 Synthesis of benzo[1,4]thiazepines by the reaction of 3-aryl-1-(3-coumarinyl)propen-1-ones with 2-aminothiophenol Albert Lévai,József Jekő,Tímea Gondos,András Simon and Gábor Tóth Structure 13C NMR 碳谱模拟图 10 . dimethyl(2-{[(1-methyl-1H-dibenzo[2,3:6,7]oxepino[4,5-d]imidazol-2-yl)methyl]oxy}ethyl)amine C21H23N3O2 相似度:59.0% Journal of Heterocyclic Chemistry 2010 47 640-656 Novel tetracyclic imidazole derivatives: Synthesis, dynamic NMR study, and anti-inflammatory evaluation Renata Rupčić, Marina Modrić, Antun Hutinec, Ana Čikoš, Barbara Stanić, Milan Mesić, Dijana Pešić and Mladen Merćep Structure 13C NMR 碳谱模拟图 11 . Compound 9a 相似度:59.0% Bioorganic & Medicinal Chemistry Letters 2000 10 171-174 The use of power ultrasound coupled with magnetic separation for the solid phase synthesis of compound libraries J. Manuel Perez, Eric J. Wilhelm, Irving Sucholeiki Structure 13C NMR 碳谱模拟图 12 . Isopropyl 4-(1-benzyl-1H-indazol-3-yl)benzoate C24H22N2O2 相似度:59.0% Bioorganic & Medicinal Chemistry 2008 16 1262-1278 Synthesis and antiplatelet activity of ethyl 4-(1-benzyl-1H-indazol-3-yl)benzoate (YD-3) derivatives Hua-Sin Chen, Sheng-Chu Kuo, Che-Ming Teng, Fang-Yu Lee, Jih-Pyang Wang, Yu-Chun Lee, Chiung-Wen Kuo, Ching-Che Huang, Chin-Chung Wu, Li-Jiau Huang Structure 13C NMR 碳谱模拟图 13 . Compound 9 相似度:59.0% Magnetic Resonance in Chemistry 2002 40 461-466 1H and 13C NMR assignments of new oligo-bipyridine–phenanthroline hybrids as potential precursors of helicate complexes Rita Annunziata, Maurizio Benaglia and Alberto Bologna Structure 13C NMR 碳谱模拟图 14 . 2-[2,4-Dihydro-4-(4-methylphenyl)-3-phenyl-1,2,4-triazol-5-ylidene]indane-1,3-dione C24H17N3O2 相似度:59.0% Zeitschrift für Naturforschung B 2006 61 1239-1242 Amidrazones in the Synthesis of 1H-1,2,4-Triazoles A. A. Aly, M. A.-M. Gomaa, A. M. NourEl-Din, and M. S. Fahmi Structure 13C NMR 碳谱模拟图 15 . 2-[4-(4-Chlorophenyl)-2,4-dihydro-3-phenyl-1,2,4-triazol-5-ylidene]indane-1,3-dione C23H14ClN3O2 相似度:59.0% Zeitschrift für Naturforschung B 2006 61 1239-1242 Amidrazones in the Synthesis of 1H-1,2,4-Triazoles A. A. Aly, M. A.-M. Gomaa, A. M. NourEl-Din, and M. S. Fahmi Structure 13C NMR 碳谱模拟图 16 . 2-[2,4-Dihydro-4-(3-methylphenyl)-3-phenyl-1,2,4-triazol-5-ylidene]indane-1,3-dione C24H17N3O2 相似度:59.0% Zeitschrift für Naturforschung B 2006 61 1239-1242 Amidrazones in the Synthesis of 1H-1,2,4-Triazoles A. A. Aly, M. A.-M. Gomaa, A. M. NourEl-Din, and M. S. Fahmi Structure 13C NMR 碳谱模拟图 17 . Ethyl 1-Benzyl-2-p-tolyl-1H-indole-3-carboxylate C25H23NO2 相似度:59.0% European Journal of Organic Chemistry 2012 2549-2559 A General Synthesis of Indole-3-carboxylic Esters by Palladium-Catalyzed Direct Oxidative Carbonylation of 2-Alkynylaniline Derivatives Bartolo Gabriele, Lucia Veltri, Raffaella Mancuso, Giuseppe Salerno and Mirco Costa Structure 13C NMR 碳谱模拟图 18 . (R,S)-N-[2-benzoyl-4-(N',N'-diisopropylureido)phenyl]-2-(4-methylpiperazin-1-yl)-2-phenylacetamide 相似度:59.0% Bioorganic & Medicinal Chemistry 2009 17 7690-7697 Antimalarial and antitrypanosomal activity of a series of amide and sulfonamide derivatives of a 2,5-diaminobenzophenone Mirko Altenkämper, Benjamin Bechem, Johann Perruchon, Swetlana Heinrich, Andrea Mädel, Regina Ortmann, Hans-Martin Dahse, Ellen Freunscht, Yulin Wang, Jennifer Rath, August Stich, Manuela Hitzler, Peter Chiba, Michael Lanzer, Martin Schlitzer Structure 13C NMR 碳谱模拟图 19 . (3R,4R)-3-{[(1S,3R,4R,6R)-4-bromo-3,7,7-trimethylbicyclo[4.1.0]hept-3-yl]oxy}-1-(chrysen-6-yl)-4-phenylazetidin-2-one 相似度:59.0% Helvetica Chimica Acta 2011 94 2188-2193 An Efficient Synthesis of Optically Active trans-(3R,4R)-3-Acetoxy-4-aryl-1-(chrysen-6-yl)azetidin-2-ones Using (+)-Car-3-ene as a Chiral Auxiliary (pages 2188–2193) Aarif L. Shaikh, Orlando Esparza and Bimal K. Banik Structure 13C NMR 碳谱模拟图 20 . (E)-N-benzyl-3-phenyl-1-(pyridin-2-yl)prop-2-en-1-amine C21H20N2 相似度:59.0% Heterocycles 2012 85 1655-1669 Studies on the Petasis Reaction of 2-Pyridinecarbaldehyde Derivatives and Its Products Hiroki Mandai,* Kyouta Murota, and Seiji Suga Structure 13C NMR 碳谱模拟图 21 . 10-methyl-6-(4-methylphenyl)-6,7-dihydro-4H-indolo[3,4-cd][1]benzazepine C23H20N2 相似度:59.0% European Journal of Organic Chemistry 2010 5108-5117 Water-Accelerated Cationic π-(7-endo) Cyclisation: Application to Indole-Based Peri-Annulated Polyheterocycles Mohammad Saifuddin, Piyush K. Agarwal, Sudhir K. Sharma, Anil K. Mandadapu, Sahaj Gupta, Vimal K. Harit and Bijoy Kundu Structure 13C NMR 碳谱模拟图 22 . 8-methyl-12-phenyl-5,6-dihydro-4bH-isoquino[2,1-a]quinazolin-6-one C23H20N2O 相似度:59.0% European Journal of Organic Chemistry 2010 1999-2007 Facile Assembly of Fused Isoquinolines by Gold(I)-Catalyzed Coupling–Cyclization Reactions between o-Alkynylbenzaldehydes and Aromatic Amines Containing Tethered Nucleophiles Nitin T. Patil, Anil Kumar Mutyala, Pediredla G. V. V. Lakshmi, Penmatcha V. K. Raju and Balasubramanian Sridhar Structure 13C NMR 碳谱模拟图 |
2楼2013-07-09 21:47:45
yyd7777777
铁虫 (小有名气)
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3楼2013-07-10 11:26:11
wangkaibo123
荣誉版主 (职业作家)
kerry
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专家经验: +726 - PhEPI: 3
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【答案】应助回帖
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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86个化合物(查询结果仅供参考) 1 . 1-Methyl-3-(benzyl)-1H,3H-quinazoline-2,4-dione 相似度:60% Molecules 2009 14 1860-1868 Alkylation of 2, 4-(1H, 3H)-Quinazolinediones with Dialkyl Carbonates Under Microwave Irradiations Ignacio Alfredo Rivero, Leticia Guerrero, Karla Alejandra Espinoza, Martha Cecilia Meza and Jesús Ramón Rodríguez Structure 13C NMR 碳谱模拟图 2 . 1-phenyl-6-pyridin-4-ylpiperidin-2-one C16H16N2O 相似度:60% Heterocycles 2004 63 1027-1044 Palladium-catalyzed Cyclocarbonylation of Unsaturated Alcohols and Amines. Chemoselective Synthesis of Heterocycle-substituted γ- and δ-Lactones and Lactams Catia Granito, Luigino Troisi,* and Ludovico Ronzini Structure 13C NMR 碳谱模拟图 3 . (E)-N-benzylidene-3-tert-butyl-1-phenyl-1H-pyrazol-5-amine 相似度:60% European Journal of Organic Chemistry 2010 6454-6463 An Efficient Synthesis of 7-(Arylmethyl)-3-tert-butyl-1-phenyl-6,7-dihydro-1H,4H-pyrazolo[3,4-d][1,3]oxazines Rodrigo Abonia, Juan Castillo, Braulio Insuasty, Jairo Quiroga, Manuel Nogueras and Justo Cobo Structure 13C NMR 碳谱模拟图 4 . 3-[2-(1-methylpyrrolidin-2-yl)ethyl]-3,4-dihydroquinazoline-4-one C15H19N3O 相似度:60% Tetrahedron 2013 69 1705-1711 The unambiguous synthesis and NMR assignment of 4-alkoxy and 3-alkylquinazolines Marcel Špulák, Zdeněk Novák, Karel Palát, Jiří Kuneš, Jana Pourová, Milan Pour Structure 13C NMR 碳谱模拟图 5 . 3-(N4-[(Benzyloxy)carbonyl]-1-{[(tert-butoxy)carbonyl]methyl}cytosin-6-yl)propanoic Acid C21H25N3O7 相似度:56.2% Helvetica Chimica Acta 2009 92 1134-1166 Oligonucleotide Analogues with Integrated Bases and Backbone. Part 20 : Hydrazide- and Amide-Linked Analogues. 1. Design and Synthesis of Monomeric Building Blocks Manuel Peifer, Fabio De Giacomo, Martin Schandl, Andrea Vasella Structure 13C NMR 碳谱模拟图 6 . 3-Benzyl-4-(3-ethoxy-4-hydroxybenzylidenamino)-4,5-dihydro-1H-1,2,4-triazol-5-one C18H18N4O3 相似度:56.2% Molecules 2005 10 961-970 Synthesis and Non-Aqueous Medium Titrations of Some New 4-Benzylidenamino-4, 5-dihydro-1H-1, 2, 4-triazol-5-one Derivatives Haydar Yüksek, Osman ücüncü, Muzaffer Alkan, Zafer Ocak and Sule Bahceci Structure 13C NMR 碳谱模拟图 7 . trans-l,2-Bis[4-(5-N-isopropylamidino-2-benzanidazolyl)phenyl]ethene hydrochloride C36H40N8C14 相似度:53.3% Molecules 2004 9 158-163 The Synthesis of Dicationic Extended Bis-Benzimidazoles Zhijan Kang, Christine C. Dykstra and David W. Boykin Structure 13C NMR 碳谱模拟图 8 . 1-Ethyl-3-(benzyl)-1H,3H-quinazoline-2,4-dione 相似度:53.3% Molecules 2009 14 1860-1868 Alkylation of 2, 4-(1H, 3H)-Quinazolinediones with Dialkyl Carbonates Under Microwave Irradiations Ignacio Alfredo Rivero, Leticia Guerrero, Karla Alejandra Espinoza, Martha Cecilia Meza and Jesús Ramón Rodríguez Structure 13C NMR 碳谱模拟图 9 . (1S,2aS,9bS)-1,2,2a,3,4,9b-hexahydro-1-methyl-3-oxocyclobuta[d] [1]benzoxepine-1-carbonitrile 相似度:53.3% Helvetica Chimica Acta 2011 94 768-772 Synthesis of trans-Fused Oxabicyclo[5.2.0]nonan-2-ones via [2+2] Photocycloaddition of Oxepinones to Conjugated Alkenes Kerstin Schmidt and Paul Margaretha Structure 13C NMR 碳谱模拟图 10 . 2,6-Di-tert-butyl-4-[(E)-2-(3,5-di-tert-butyl-4-methoxyphenylethenyl)]phenol C31H46O2 相似度:53.3% Bioorganic & Medicinal Chemistry 2011 19 339-351 New hydroxystilbenoid derivatives endowed with neuroprotective activity and devoid of interference with estrogen and aryl hydrocarbon receptor-mediated transcription Carolina Villalonga-Barber, Aggeliki K. Meligova, Xanthippi Alexi, Barry R. Steele,Constantinos E. Kouzinos, Constantinos G. Screttas, Efrosini S. Katsanou,Maria Micha-Screttas, Michael N. Alexis Structure 13C NMR 碳谱模拟图 11 . 1,14-Di-(methoxycarbonyl)-1,2,13,14-dinaphthaleno-3,12-dioxa-6,9-dithiatetradeca-1,13-diene C30H30S2O6 相似度:53.3% Zeitschrift für Naturforschung B 2005 60b 891-900 A Convenient Synthesis of Novel 20-, 23-, and 26-Membered Macrocyclic Oxathiadibenzo-and Oxathiadinaphthalenocrown Ethers, Part 1 Muhammad Ashram Structure 13C NMR 碳谱模拟图 12 . (Z)-4-(2-Amino-4-oxo-1H-imidazol-5(4H)-ylidene)-2-phenyl-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1H)-one C17H15N5O2 相似度:53.3% Bioorganic & Medicinal Chemistry 2012 20 1475-1481 Synthesis and evaluation of debromohymenialdisine-derived Chk2 inhibitors Rahman Shah Zaib Saleem,Theresa A. Lansdell,Jetze J. Tepe Structure 13C NMR 碳谱模拟图 13 . 5-[benzyl(ethyl)amino]-3-oxo-2,3-dihydropyridazine-4-carbonitrile C14H14N4O 相似度:53.3% Chemical & Pharmaceutical Bulletin 2010 58 964-970 Synthesis of ortho-Functionalized 4-Aminomethylpyridazines as Substrate-Like Semicarbazide-Sensitive Amine Oxidase Inhibitors Norbert Haider, Iris Hochholdinger, Péter Mátyus and Andrea Wobus Structure 13C NMR 碳谱模拟图 14 . 4-amino-3-(4-chlorobenzyl)-1-{[5-(benzylamino)-1,3,4-oxazol-2-yl]methyl}-4,5-dihydro-1H-1,2,4-triazol-5-one C19H18ClN7O2 相似度:53.3% Journal of Heterocyclic Chemistry 2007 44 1271-1280 Synthesis of some new five membered heterocycles,a facile synthesis of oxazolidinones Ahmet Demirbas,Sule Ceylan and Neslihan Demirbas Structure 13C NMR 碳谱模拟图 15 . compound 21 C17H18N4OS 相似度:53.3% Journal of Heterocyclic Chemistry 2005 42 743-749 New C(2)-substituted 8-alkylsulfanyl-9-phenylmethyl-hypoxanthines III Giuliana Biagi,Irene Giorgi,Oreste Livi,Federica Pacchini,Valerio Scartoni and Oreste Leroy Salerni Structure 13C NMR 碳谱模拟图 16 . 5-benzylthio-2-methylthio-6,7,8,9-tetrahydro-1,2,4-triazolo-[5,1-b]quinazoline C17H18N4S2 相似度:53.3% Journal of Heterocyclic Chemistry 2001 38 237-252 On triazoles XLII . A new convenient method for the N-alkylation of highly insoluble cyclic amides GáBor Berecz and JóZsef Reiter Structure 13C NMR 碳谱模拟图 17 . compound 3g 相似度:53.3% Journal of Heterocyclic Chemistry 2000 37 675-680 A convenient preparation of 1,3-disubstituted dihydro-2,4-(1H,3H)pyrimidinediones L. M. Deck and E. P. Papadopoulos Structure 13C NMR 碳谱模拟图 18 . compound 3h 相似度:53.3% Journal of Heterocyclic Chemistry 2000 37 675-680 A convenient preparation of 1,3-disubstituted dihydro-2,4-(1H,3H)pyrimidinediones L. M. Deck and E. P. Papadopoulos Structure 13C NMR 碳谱模拟图 |
4楼2013-07-10 11:33:09
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