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[求助]
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第一个98.1, 106.7, 106.9, 112.4, 120.2, 121.3, 122.7, 125.2, 130.4, 136.8, 158.9, 172.1分子式为C12H9NO3； 第二个138.2,132.2, 127.7, 127.7, 126.1, 123.2, 72.2万分感谢！ |
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wangkaibo123
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7楼2014-04-23 20:06:53
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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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489个化合物(查询结果仅供参考) 1 . 6-bromoindolyl-3-acetic acid C10H8BrNO2 相似度:66.6% Journal of Natural Products 1993 Vol 56 1553-1558 Structure and Synthesis of Bromoindoles from the Marine Sponge Pseudosuberites hyalinus Thomas Rasmussen, Jan Jensen, Uffe Anthoni, Carsten Christophersen, Per H. Nielsen Structure 13C NMR 碳谱模拟图 2 . Compound 1 C13H17N2 相似度:66.6% Bioorganic & Medicinal Chemistry Letters 2003 13 4481-4483 Conicamin, a novel histamine antagonist from the mediterranean tunicate Aplidium conicum Anna Aiello, Francesca Borrelli, Raffaele Capasso, Ernesto Fattorusso, Paolo Luciano, Marialuisa Menna Structure 13C NMR 碳谱模拟图 3 . 1-methyl-4-methoxy-β-carboline 相似度:66.6% Chinese Traditional and Herbal Drugs 2007 38 807-810 Alkaloids from twigs and leaves of Picrasma quassioides CHEN Meng; FAN Hua-ying; DAI Sheng-jun; LIU Ke Structure 13C NMR 碳谱模拟图 4 . arcyriarubin A C20H13N3O2 相似度:66.6% Organic & Biomolecular Chemistry 2010 8 3157-3163 Novel tryptophan metabolites, chromoazepinone A, B and C, produced by a blocked mutant of Chromobacterium violaceum, the biosynthetic implications and the biological activity of chromoazepinone A and B Takaaki Mizuoka, Kazufumi Toume, Masami Ishibashi and Tsutomu Hoshino Structure 13C NMR 碳谱模拟图 5 . pyrrolomycin F1 C11H5NO2Br4 相似度:66.6% The Journal of Antibiotics 1983 36 1431-1438 PYRROLOMYCINS F1 F2a, F2b AND F3, NEW METABOLITES PRODUCED BY THE ADDITION OF BROMIDE TO THE FERMENTATION NORIO EZAKI, MASAO KOYAMA, YOSHIO KODAMA, TAKASHI SHOMURA, KUMIKO TASHIRO, TAKASHI TSURUOKA, SHIGEHARU INOUYE, SHIN-ICHIRO SAKAI Structure 13C NMR 碳谱模拟图 6 . (2E,4E)-5-(3-Methoxyphenyl)penta-2,4-dienoic acid 相似度:66.6% Journal of the Brazilian Chemical Society 2010 21 1807-1813 Antifungal Activity of Natural and Synthetic Amides from Piper species Joaquim V. Marques, Alberto de Oliveira, Ludmila Raggi, Maria C. M. Young and Massuo J. Kato Structure 13C NMR 碳谱模拟图 7 . didemnimide A C15H10N4O2 相似度:61.5% The Journal of Organic Chemistry 1998 63 9850-9856 Granulatimide and Isogranulatimide, Aromatic Alkaloids with G2 Checkpoint Inhibition Activity Isolated from the Brazilian Ascidian Didemnum granulatum: Structure Elucidation and Synthesis† Roberto G. S. Berlinck, Robert Britton, Edward Piers, Lynette Lim, Michel Roberge, Rosana Moreira da Rocha, X and Raymond J. Andersen Structure 13C NMR 碳谱模拟图 8 . didemnimide A C15H10N4O2 相似度:61.5% The Journal of Organic Chemistry 1997 62 1486-1490 Didemnimides A-D: Novel, Predator-Deterrent Alkaloids from the Caribbean Mangrove Ascidian Didemnum conchyliatum Hélène C. Vervoort, Sarah E. Richards-Gross, and William Fenical Structure 13C NMR 碳谱模拟图 9 . 3-indoleacrylamide C11H10N2O 相似度:58.3% Journal of Natural Products 1998 61 1560-1563 A New Indole Derivative from the Red Alga Chondria atropurpurea. Isolation, Structure Determination, and Anthelmintic Activity Danilo Davyt, Walter Entz, Rafael Fernandez, Raúl Mariezcurrena, Alvaro W. Mombrú, Jenny Saldaña, Laura Domínguez, Javier Coll, and Eduardo Manta Structure 13C NMR 碳谱模拟图 10 . 2-methoxy-3-(3-indolyl)-propionic acid C12H13NO3 相似度:58.3% Planta Medica 2001 67 345-349 Alkaloids and Flavonoids from Peanut Skins Hongxiang Lou,Huiqing Yuan, Yoshimitsu Yamazaki, Tsutomu Sasaki, Syuichi Oka Structure 13C NMR 碳谱模拟图 11 . 2,2-Bis(prop-2-en-1-yl)-2,3-dihydro-1-benzofuran-3-one C14H14O2 相似度:58.3% Molecules 2008 13 995-1003 Novel Spiroannulated 3-Benzofuranones. Synthesis and Inhibition of the Human Peptidyl Prolyl cis/trans Isomerase Pin1 Manfred Braun, Anahita Hessamian-Alinejad, Boris F. de Lacroix, Birte H. Alvarez and Gunter Fischer Structure 13C NMR 碳谱模拟图 12 . Dichotomine E C12H8N2O3 相似度:58.3% Journal of Natural Products 2010 73 1993-1998 β-Carboline Alkaloids from Stellaria dichotoma var. lanceolata and Their Anti-inflammatory Activity Yuh-Fung Chen, Ping-Chung Kuo, Hsiu-Hui Chan, I-Je Kuo, Fu-Wen Lin, Chung-Ren Su, Mei-Lin Yang, Ding-Tzai Li, and Tian-Shung Wu Structure 13C NMR 碳谱模拟图 13 . (Z)-α-(1H-3-Indolyl)-N-tert-butylnitrone C13H16N2O 相似度:58.3% Bioorganic & Medicinal Chemistry 2011 19 951-960 Synthesis, structure, theoretical and experimental in vitro antioxidant/pharmacological properties of α-aryl, N-alkyl nitrones,as potential agents for the treatment of cerebral ischemia Abdelouahid Samadi, Elena Soriano, Julia Revuelta, Carolina Valderas, Mourad Chioua,Ignacio Garrido, Begoña Bartolomé, Isabelle Tomassolli, Lhassane Ismaili, Laura González-Lafuente,Mercedes Villarroya, Antonio G. García, María J. Oset-Gasque, José Marco- Structure 13C NMR 碳谱模拟图 14 . Compound 6 相似度:58.3% Angewandte Chemie International Edition 1980 19 459-460 Indole Pigments from the Fruiting Bodies of the Slime Mold Arcyriu denudatd Wolfgang Steglich,Bert Steffan,Lothar Kopanski,and Gerd Eckhardt Structure 13C NMR 碳谱模拟图 |
2楼2014-04-23 12:35:42
3楼2014-04-23 14:39:56
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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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771个化合物(查询结果仅供参考) 1 . (5S,10R)-1,2,3,4,10,11-hexahydro-5-methyl-5H-dibenzo[a,d]cyclohepten-5,10-imine C16H19N 相似度:75% Journal of Medicinal Chemistry 1990 33 1047-1052 Structure and activity of hydrogenated derivatives of (+)-5-methyl-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5,10-imine (MK-801) Terry A. Lyle, Catherine A. Magill, Susan F. Britcher, George H. Denny, Wayne J. Thompson, Joan S. Murphy, Antony R. Knight, John A. Kemp, George R. Marshall, Structure 13C NMR 碳谱模拟图 2 . 3-Hydroxy-3-phenyl propanol C9H12O2 相似度:71.4% Molecules 2004 9 266-277 Investigations into the Use of a Polyfluorooctanol as an Auxiliary Component for an Aldol Reaction Jason Eames and Hasina Khanom Structure 13C NMR 碳谱模拟图 3 . bis(2-bromobenzyl) sulfide C14H12Br2S 相似度:71.4% Heterocycles 2006 68 1335-1348 Hypervalent Organoantimony Compound 12-Aryltetrahydrodibenz[c,f][1,5]azastibocine: New Transmetallating Agent for Palladium-Catalyzed Arylation of Organic Halides Naoki Kakusawa and Jyoji Kurita* Structure 13C NMR 碳谱模拟图 4 . 2-phenyl-1,3-oxathiolane 相似度:71.4% Tetrahedron Letters 2003 44 8597-8599 A mild and efficient method for the protection of carbonyl compounds as oxathiolanes, dithiolanes and dithianes catalyzed by molybdenyl acetylacetonate Kalyan Kumar Rana, Chandrani Guin, Samaresh Jana, Subhas Chandra Roy Structure 13C NMR 碳谱模拟图 5 . cis-1,2-Bis(thiophen-2-yl)ethene C10H8S2 相似度:71.4% European Journal of Organic Chemistry 2012 754-763 A Cyclobutene-1,2-bis(imidazolium) Salt as Preligand for Palladium-Catalyzed Cross-Coupling Reactions: Properties and Applications Alireza Rahimi, Imre Pápai, ádám Madarász, Mimoza Gjikaj, Jan C. Namyslo and Andreas Schmidt Structure 13C NMR 碳谱模拟图 6 . (4-bromophenyl)-oxazol-2-yl-methanol C10H8BrNO2 相似度:71.4% Bioorganic & Medicinal Chemistry 2010 18 4570-4590 Selective angiotensin II AT2 receptor agonists with reduced CYP 450 inhibition A.K. Mahalingam, Yiqian Wan, A.M.S. Murugaiah, Charlotta Wallinder, Xiongyu Wu, Bianca Plouffe, Milad Botros, Fred Nyberg, Anders Hallberg, Nicole Gallo-Payet, Mathias Alterman Structure 13C NMR 碳谱模拟图 7 . (R)-2-fluoro-1-phenylethanol C8H9OF 相似度:71.4% The Journal of Organic Chemistry 2000 65 157-163 Two Classes of Enzymes of Opposite Stereochemistry in an Organism: One for Fluorinated and Another for Nonfluorinated Substrates Tomoko Matsuda and Tadao Harada, Nobuyoshi Nakajima, Toshiyuki Itoh, Kaoru Nakamura Structure 13C NMR 碳谱模拟图 8 . cis-3,4-diphenyltetrahydrofuran C16H16O 相似度:71.4% Heterocycles 2012 85 1711-1720 A Facile Synthesis of 5,6-Dihydro-4H-pyrrolo[3,4-d]thiazole and Other Pyrrolidine-Fused Aromatic Ring Systems via One-Step Cyclization from Diols Kenji Yoshikawa,* Tsutomu Nagata, Toshiharu Yoshino, Yumi Nakamoto, Noriyasu Haginoya, Ryo Muto, Akiyoshi Mochizuki, Hideyuki Kanno, and Toshiharu Ohta Structure 13C NMR 碳谱模拟图 9 . 1-chloroanthracene 相似度:71.4% Molecules 2013 18 398-407 Efficient Indium-Mediated Dehalogenation of Aromatics in Ionic Liquid Media álvaro F. Cañete, Cristian O. Salas and Flavia C. Zacconi Structure 13C NMR 碳谱模拟图 10 . methyl [2-2H]mandelate 相似度:71.4% The Journal of Organic Chemistry 1997 62 2173-2185 Biosynthetic Studies of ö-Cycloheptyl Fatty Acids in Alicyclobacillus cycloheptanicus. Formation of Cycloheptanecarboxylic Acid from Phenylacetic Acid Bradley S. Moore, Kevin Walker, Ingo Tornus, Sandeep Handa, Karl Poralla, and Heinz G. Floss Structure 13C NMR 碳谱模拟图 11 . (Z)-2-(2'-hydroxy-3'-penten-1'-yl) thiophene C9H12OS 相似度:66.6% Heterocycles 2005 66 535-542 Wittig Rearrangement of Ally 2-Thiophenemethyl Ethers: Facile Synthesis of Thiophenemethanol and -ethanol Derivatives Masayoshi Tsubuki,* Sohichiro Matsuo, and Toshio Honda* Structure 13C NMR 碳谱模拟图 12 . 5-methyl(3-13C,1,2-15N2)[1,2,4]triazolo[3,4-b][1,3]benzothiazole C8CH7N3S 相似度:66.6% Pest Management Science 2011 67 556-559 Synthesis of new compounds related to the commercial fungicide tricyclazole Jesse L Balcer, Carl V DeAmicis, Peter L Johnson, Jerzy Klosin, Gregory T Whiteker, C Srinivas Rao and Donghua Dai Structure 13C NMR 碳谱模拟图 13 . 7-chloro-5-methyl[1,2,4]triazolo[3,4-b][1,3]benzothiazole C9H6ClN3S 相似度:66.6% Pest Management Science 2011 67 556-559 Synthesis of new compounds related to the commercial fungicide tricyclazole Jesse L Balcer, Carl V DeAmicis, Peter L Johnson, Jerzy Klosin, Gregory T Whiteker, C Srinivas Rao and Donghua Dai Structure 13C NMR 碳谱模拟图 |
4楼2014-04-23 14:50:39
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