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yulin07002金虫 (小有名气)
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[求助]
微谱数据求助！
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请各位大侠帮我查2个化合物的微谱数据： 化合物1：14,1,22.7,26.0,28.9,29.2,29.3,31.8,65.2,68.5,101.5,107.8,128.3,128.9,131.4,135.2,166.2,188.5,200.1. 化合物2：26.3,27.0,31.6,31.7,121.2,131.8,146.9,150.8,170.6,191.2,198.5. |
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wangkaibo123
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kerry
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【答案】应助回帖
★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
PSA: 金币+1, 3u 2013-11-26 11:18:22
yulin07002(豆哥代发): 金币+30, 谢谢 2013-11-27 09:09:07
感谢参与，应助指数 +1
PSA: 金币+1, 3u 2013-11-26 11:18:22
yulin07002(豆哥代发): 金币+30, 谢谢 2013-11-27 09:09:07
|
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408个化合物(查询结果仅供参考) 1 . 2-Hydroxy-(4-octyloxy)benzophenone 相似度:76.1% Chemistry of Natural Compounds 2005 41 101-102 PHENOLIC COMPOUNDS FROM Pinus sibirica SHELLS E. A. Khamidullina, M. Purevdash I. V. Ushakov,O. V. Neretina, and S. A. Medvedeva1 Structure 13C NMR 碳谱模拟图 2 . n-octyl N-acetyl-2,3-aziridino-5-O-benzoyl-2,3-dideoxy-β-D-ribofuranoside C22H31NO5 相似度:68.4% Tetrahedron 2013 69 4276-4284 Glycosylations with 2,3-aziridinofuranose derivatives Md Faiaz Ahmed, Todd L. Lowary Structure 13C NMR 碳谱模拟图 3 . compound 3 C20H24N2O3 相似度:65% Tetrahedron 2012 68 9200-9205 Tunable conformation and stability of amidourea-based hydrogen-bonded heteroduplexes Wei-Jun Chu, Chuan-Feng Chen Structure 13C NMR 碳谱模拟图 4 . compound 2 C33H47N3O 相似度:63.1% Tetrahedron Letters 2004 45 1643-1646 Efficient and selective transport of ω-amino acids across a bulk chloroform membrane by a macrocyclic dicopper(II) complex Umberto Pichler, Paolo Scrimin, Paolo Tecilla, Umberto Tonellato, Andrea Veronese, Massimo Verzini Structure 13C NMR 碳谱模拟图 5 . N-[4-(n-octyloxy)benzoyl]benzamidine C22H28N2O2 相似度:63.1% European Journal of Organic Chemistry 2011 861-877 Synthesis, Structures, and Aggregation Properties of N-Acylamidines Christof Wigbers, Jörg Prigge, Zhongchen Mu, Roland Fröhlich, Lifeng Chi and Ernst-Ulrich Würthwein Structure 13C NMR 碳谱模拟图 6 . 1-(4-bromophenyl)-5-methyl-2-octylpyrazolium iodide C18H25BrN2 相似度:63.1% European Journal of Organic Chemistry 2010 4296-4305 Rearrangements of N-Heterocyclic Carbenes of Pyrazole to 4-Aminoquinolines and Benzoquinolines Andrij Dreger, Rafael Cisneros Camuña, Niels Münster, Tibor András Rokob, Imre Pápai and Andreas Schmidt Structure 13C NMR 碳谱模拟图 7 . compound 17 相似度:63.1% Bioorganic & Medicinal Chemistry 2012 20 4954-4961 Design and synthesis of marine fungal phthalide derivatives as PPAR-γ agonists Bin Xiao, Jun Yin, Minhi Park, Juan Liu, Jian Lin Li, Eun La Kim, Jongki Hong, Hae Young Chung, Jee H. Jung Structure 13C NMR 碳谱模拟图 8 . dodecyl benzoate 相似度:63.1% Tetrahedron 2013 69 8088-8095 The dual role of ionic liquid BmimBF4, precursor of N-heterocyclic carbene and solvent, in the oxidative esterification of aldehydes Isabella Chiarotto, Marta Feroci, Giovanni Sotgiu, Achille Inesi Structure 13C NMR 碳谱模拟图 9 . 1,4-Bis(4-nonyloxyphenyl)-6,7-dimethylanthraquinone C46H57O4 相似度:60% Molecules 2009 14 1013-1031 Brominated Thiophenes as Precursors in the Preparation of Brominated and Arylated Anthraquinones Thies Thiemann, Yasuko Tanaka and Jesus Iniesta Structure 13C NMR 碳谱模拟图 10 . 2-tert-butyl-4-(1-butyl-pentylidene)-1-(4-toluenesulfonyl)pyrrolidine C24H39NO2S 相似度:60% Heterocycles 2003 61 247-257 Synthesis of 3-Methylenepyrrolidines by Palladium-catalyzed [3+2] Cycloaddition of Alkylidenecyclopropanes with Imines Byoung Ho Oh, Itaru Nakamura, Shinichi Saito, and Yoshinori Yamamoto* Structure 13C NMR 碳谱模拟图 11 . N-[4-(n-hexadecyloxy)benzoyl]benzamidine C30H44N2O2 相似度:60% European Journal of Organic Chemistry 2011 861-877 Synthesis, Structures, and Aggregation Properties of N-Acylamidines Christof Wigbers, Jörg Prigge, Zhongchen Mu, Roland Fröhlich, Lifeng Chi and Ernst-Ulrich Würthwein Structure 13C NMR 碳谱模拟图 12 . 2-phenyl-4-(S)-[(4S,5S)-4-(tetradecyl)-1,3,2-dioxathiolane-2,2-dioxide-5-yl]-1,3-oxazoline C25H39NO5S 相似度:60% European Journal of Organic Chemistry 2011 6685-6689 A Rapid and Efficient Synthesis of D-erythro-Sphingosine from D-ribo-Phytosphingosine Richard J. B. H. N. van den Berg, Hans van den Elst, Cornelius G. N. Korevaar, Johannes M. F. G. Aerts, Gijsbert A. van der Marel and Herman S. Overkleeft Structure 13C NMR 碳谱模拟图 |
2楼2013-11-25 22:36:37
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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- 管辖: 药学
【答案】应助回帖
★
PSA: 金币+1, 3u 2013-11-26 11:18:33
PSA: 金币+1, 3u 2013-11-26 11:18:33
|
2 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18个化合物(查询结果仅供参考) 1 . (2E,6Z)-dodeca-2,6-dienoic acid 相似度:66.6% Journal of Agricultural and Food Chemistry 2009 57 1982-1989 Synthesis and Evaluation of New Alkylamides Derived from α-Hydroxysanshool, the Pungent Molecule in Szechuan Pepper Candice Menozzi-Smarrito, Celine E. Riera, Caroline Munari, Johannes Le Coutre and Fabien Robert Structure 13C NMR 碳谱模拟图 2 . 8-{[(4-bromophenyl)sulfanyl]ethyl}caffeine C16H17BrN4O2S 相似度:57.1% Bioorganic & Medicinal Chemistry 2012 20 4336-4347 Inhibition of monoamine oxidase by 8-phenoxymethylcaffeine derivatives Thokozile Okaecwe, Abraham J. Swanepoel, Anél Petzer, Jacobus J. Bergh, Jacobus P. Petzer Structure 13C NMR 碳谱模拟图 3 . (E)-3-Nonen-2-one 相似度:54.5% Bioorganic & Medicinal Chemistry 2011 19 567-579 Design, synthesis and antimycobacterial activities of 1-methyl-2-alkenyl-4(1H)-quinolones Abraham A. Wube, Antje Hüfner, Christina Thomaschitz, Martina Blunder, Manfred Kollroser,Rudolf Bauer, Franz Bucar Structure 13C NMR 碳谱模拟图 4 . compound 12e 相似度:54.5% European Journal of Organic Chemistry 2012 2338-2345 Microwave-Assisted Domino Benzannulation of -Oxo Ketenes: Preparation of 1,3-Dihydro-2H-1,5-benzodiazepin-2-ones Juan-Carlos Castillo, Marc Presset, Rodrigo Abonia, Yoann Coquerel and Jean Rodriguez Structure 13C NMR 碳谱模拟图 5 . ethyl (2E)-7-methyl-2,6-octadienoate C11H18O2 相似度:54.5% Bioorganic & Medicinal Chemistry 2010 18 5795-5806 Efficient synthesis and biological evaluation of demethyl geranylgeranoic acid derivatives Akimori Wada, Fei Wang, Yoshitomo Suhara, Yumiko Yamano, Takashi Okitsu, Kimie Nakagawa, Toshio Okano Structure 13C NMR 碳谱模拟图 6 . N-(4-bromophenyl)adamantan-2-amine 相似度:54.5% Russian Journal of Organic Chemistry 2010 46 64-72 Palladium-catalyzedaminationofisomericdihalobenzeneswith1-and2-aminoadamantanes A. D. Averin, M. A. Ulanovskaya, V. V. Kovalev, A. K. Buryak and B. S. Orlinson, et al. Structure 13C NMR 碳谱模拟图 7 . (1R,3S)-(3)-3-(2-bromoethyl)-2,2-dimethyl-1-[(E)-3-oxobutenyl]cyclopropane C11H17BrO 相似度:54.5% Russian Journal of Organic Chemistry 2003 39 75-81 Approaches to Epothilone Carboanalogs Starting from Δ3-Carene F. A. Akbutina, I. F. Sadretdinov, O. M. Kuznetsov, E. V. Vasil'eva and M. S. Miftakhov Structure 13C NMR 碳谱模拟图 8 . compound 29 C11H16O2 相似度:54.5% Tetrahedron 2012 68 6276-6283 Synthesis and reactivity of pelletierine-derived building blocks and pelletierine analogs Lok-Hang Yan, Flore Dagorn, Edmond Gravel, Blandine Séon-Méniel, Erwan Poupon Structure 13C NMR 碳谱模拟图 9 . (R,E)-5-(cyclooct-2-enylidenemethyl)-4-hydroxy-5-methylthiophen-2(5H)-one C14H18O2S 相似度:53.8% Chemical & Pharmaceutical Bulletin 2009 57 920-936 Synthesis and Biological Activity of Enantiomeric Pairs of 5-(Alk-2-enyl)thiolactomycin and 5-[(E)-Cycloalk-2-enylidenemethyl]thiolactomycin Congeners Kohei Ohata and Shiro Terashima Structure 13C NMR 碳谱模拟图 10 . 1-isopropyl-6,7-dimethoxy-3,4-dihydroisoquinoline C14H19NO2 相似度:53.8% European Journal of Organic Chemistry 2011 6507-6518 Synthesis of New Dopamine D1 Antagonist SCH 23390 Analogues by the Stereoselective Stevens Rearrangement Manuela Ariza, Amelia Díaz, Rafael Suau and María Valpuesta Structure 13C NMR 碳谱模拟图 11 . 8-{[(4-bromophenyl)sulfanyl]methyl}caffeine C15H15BrN4O2S 相似度:53.8% Bioorganic & Medicinal Chemistry 2012 20 4336-4347 Inhibition of monoamine oxidase by 8-phenoxymethylcaffeine derivatives Thokozile Okaecwe, Abraham J. Swanepoel, Anél Petzer, Jacobus J. Bergh, Jacobus P. Petzer Structure 13C NMR 碳谱模拟图 12 . seco-patulolide C C12H23O4 相似度:50% Journal of Natural Products 2000 63 142-145 Novel Polyketide Metabolites from a Species of Marine Fungi Cameron J. Smith,Darren Abbanat, Valerie S. Bernan, William M. Maiese, Michael Greenstein, Jamaluddin Jompa,Akbar Tahir,and Chris M. Ireland Structure 13C NMR 碳谱模拟图 13 . 4-trifluoromethyl-5,6,7,8-tetrahydro-2-acetylaminoquin-azoline C11H12F3N3O 相似度:50% Journal of Heterocyclic Chemistry 2008 45 483-487 One-pot synthesis of N2-aminoprotected 6-substituted and cycloalka[d] 4-trifluoromethyl-2-acetylaminopyrimidines Helio G. Bonacorso,Adriana Ferla,Cleber A. Cechinel,Nilo Zanatta and Marcos A. P. Martins Structure 13C NMR 碳谱模拟图 14 . (E)-4-Hydroxy-dodec-2-enedioic acid 相似度:50% Archives of Pharmacal Research 2003 26 207-209 A new ( E )-4-hydroxy-dodec-2-enedioic acid from the stem bark of albizzia julibrissin Mee Jung Jung, Sam Sik Kang and Jae Sue Choi Structure 13C NMR 碳谱模拟图 15 . compound 8 C108H124O12P4 相似度:50% Tetrahedron Letters 2002 43 5245-5248 Phosphite macrocycles of varying size I. Bauer, W.D. Habicher Structure 13C NMR 碳谱模拟图 16 . compound 9 相似度:50% Acta Chemica Scandinavica 1980 34 675-683 Tobacco Chemistry. 51. New Cembranic Diterpenoids from Greek Tobacco. Behr, Dan; Wahlberg, Inger; Nishida, Toshiaki; Enzell, Curt R.; Berg, Jan-Erik; Pilotti, Anne-Marie Structure 13C NMR 碳谱模拟图 17 . compound 11 C12H18O4 相似度:50% Tetrahedron 1987 43 2681-2688 Stereostructure of Rengyol and Isocengyol, Phenylethanoids of Forsythiasuspensa Katsuya Endo, Kazuhiko Seya, Hiroshi Hikino Structure 13C NMR 碳谱模拟图 18 . 8-{[(4-chlorophenyl)sulfanyl]ethyl}caffeine C16H17ClN4O2S 相似度:50% Bioorganic & Medicinal Chemistry 2012 20 4336-4347 Inhibition of monoamine oxidase by 8-phenoxymethylcaffeine derivatives Thokozile Okaecwe, Abraham J. Swanepoel, Anél Petzer, Jacobus J. Bergh, Jacobus P. Petzer Structure 13C NMR 碳谱模拟图 |
3楼2013-11-25 22:37:29
4楼2013-11-26 11:08:17
yulin07002
金虫 (小有名气)
- 应助: 0 (幼儿园)
- 金币: 902
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- 虫号: 1297952
- 注册: 2011-05-17
- 专业: 天然药物化学
5楼2013-11-26 20:12:34
yulin07002
金虫 (小有名气)
- 应助: 0 (幼儿园)
- 金币: 902
- 散金: 20
- 红花: 1
- 帖子: 88
- 在线: 43.5小时
- 虫号: 1297952
- 注册: 2011-05-17
- 专业: 天然药物化学
6楼2013-11-26 20:13:48
