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Sunfree2011木虫 (小有名气)
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[求助]
求微谱数据，急。。。
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1H NMR (500 MHz, CDCl3) δ 7.54 (d, J = 8.6 Hz, 1H), 7.36 (s, 1H), 7.13 (dd, J = 8.6, 2.4 Hz, 1H), 1.57 (s, 1H), 1.34 (s, 9H), 1.29 (s, 9H). 13C NMR (126 MHz, CDCl3) δ 147.46 (s), 146.85 (s), 138.25 (s), 124.21 (s), 123.71 (s), 118.90 (s), 76.75 (s), 34.63 (s), 34.28 (s), 31.19 (s), 29.98 (s). 500MHZ，氯仿打谱，求解谱啊！ 谢谢了！  |
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潘宪伟
木虫 (正式写手)
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【答案】应助回帖
★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
PSA: 金币+1, 3u 2013-03-05 12:57:58
Sunfree2011: 金币+15, ★★★很有帮助, 谢谢 2013-03-07 10:08:47
感谢参与，应助指数 +1
PSA: 金币+1, 3u 2013-03-05 12:57:58
Sunfree2011: 金币+15, ★★★很有帮助, 谢谢 2013-03-07 10:08:47
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查询结果：共查到35个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . 4,5-dibromomethyl-2,7-bis(1,1-dimethylethyl)-9,9-dimethyl-xanthene C25H32Br2O 相似度:63.6% The Journal of Organic Chemistry 2006 71 4559-4564 Xanthene-Based Ligand with Two Adjacent β-Diiminato Binding Sites Maurice Frederic Pilz, Christian Limberg, and Burkhard Ziemer Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . compound 2 相似度:58.3% Molecules 2009 14 364-377 Synthesis and Analysis of Resorcinol-Acetone Copolymer Ataru Kobayashi and Gen-ichi Konishi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . 1-[(Z)-3,3-dimethyl-1-(2-methyl-2-propoxy)-1-buten-2-yl]-1H-benzotriazole C16H23N3O 相似度:58.3% Heterocycles 2000 52 303-312 A Convenient Synthesis of New 1-Alkynyl-1H-benzotriazoles by Reaction of Alkynyl(phenyl)iodonium Salts with Benzotriazole Ion Tsugio Kitamura,* Norihiko Tashi, Kuniyuki Tsuda, Haiying Chen, and Yuzo Fujiwara* Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . 4,5-dicyanomethyl-2,7-bis(1,1-dimethylethyl)-9,9-dimethyl-xanthene C27H32N2O 相似度:58.3% The Journal of Organic Chemistry 2006 71 4559-4564 Xanthene-Based Ligand with Two Adjacent β-Diiminato Binding Sites Maurice Frederic Pilz, Christian Limberg, and Burkhard Ziemer Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . 3-acetyl-8-tert-butylcoumarin C15H16O3 相似度:57.1% European Journal of Organic Chemistry 2011 2874-2884 Diastereoselective Three-Step Route to o-(6-Nitrocyclohex-3-en-1-yl)phenol and Tetrahydro-6H-benzo[c]chromen-6-ol Derivatives from Salicylaldehydes Daniela Lanari, Roberto Ballini, Alessandro Palmieri, Ferdinando Pizzo and Luigi Vaccaro Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . 5,8-Dihydroxy-4-methoxy-α-tetralone C11H12O4 相似度:54.5% Chemical & Pharmaceutical Bulletin 2005 53(8) 934-937 Studies on the Constituents of Juglans Species. I. Structural Determination of (4S)- and (4R)-4-Hydroxy-α-tetralone Derivatives from the Fruit of Juglans mandshurica MAXIM. var. sieboldiana MAKINO Koichi MACHIDA, Erika MATSUOKA, Takayuki KASAHARA, and Masao KIKUCHI Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . 1-[3,4-(methylenedioxy)phenyl]-1-hydroxypropane 相似度:54.5% Journal of Natural Products 1997 60 659-662 In Vitro Evaluation of Antifungal Properties of 8.O.4'-Neolignans Susana Zacchino, Gladis Rodríguez, Germán Pezzenati, and Gabriela Orellana Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . 5,7-Di-tert-butylbenzoxazole C15H21NO 相似度:54.5% Molecules 2005 10 783-793 Highly Lipophilic Benzoxazoles with Potential Antibacterial Activity Jarmila Vinsova, Václav Horak, Vladimir Buchta and Jarmila Kaustova Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . 5,7-Di-tert-butyl-2-methylbenzoxazole C16H23NO 相似度:54.5% Molecules 2005 10 783-793 Highly Lipophilic Benzoxazoles with Potential Antibacterial Activity Jarmila Vinsova, Václav Horak, Vladimir Buchta and Jarmila Kaustova Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . 2-(4-tert-butylphenyl)propan-2-ol 相似度:54.5% Molecules 2009 14 364-377 Synthesis and Analysis of Resorcinol-Acetone Copolymer Ataru Kobayashi and Gen-ichi Konishi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . compound 5 C20H19IN2Pd 相似度:54.5% Heterocycles 2008 76 1585-1592 The NCN-Type Pincer Complex of Palladium(II) with a 2, 6-Bis(2-pyridyl)-4-tert-butylbenzene Tridentate Ligand: Synthesis, Structure and Catalytic Activity in the Mizoroki-Heck Reaction Yuichi Hirano, Yuji Saiki, Hideki Taji, Shiro Matsukawa, and Yohsuke Yamamoto Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . N-(2,4-di-t-butylphenyl)-N-methylaminodichlorophosphine 相似度:54.5% Tetrahedron Letters 2002 43 119-121 Preparation and reaction of sterically crowded N-(2,4-di-t-butylphenyl)-N-methylaminodichlorophosphine François Rivière, Shigekazu Ito, Masaaki Yoshifuji Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . (2'-Bromoethyl)-1H-indene 相似度:54.5% Tetrahedron Letters 2005 46 1353-1356 Selective alkylation and Suzuki coupling as an efficient strategy for introducing functional anchors to the ethylene-bis(indenyl) ligand Anthony P. Panarello, Oleksiy Vassylyev, Johannes G. Khinast Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . 6-chloro-3-(pyridin-3-yl)imidazo[1,2-b]pyridazine C11H7ClN4 相似度:54.5% European Journal of Organic Chemistry 2010 862-871 Direct Arylation of Imidazo[1,2-b]pyridazines: Microwave-Assisted One-Pot Suzuki Coupling/Pd-Catalysed Arylation Ahmed El Akkaoui, Sabine Berteina-Raboin, Abderrahim Mouaddib and Gérald Guillaumet Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . (R)-4-(3-Chlorobenzothiophen-2-yl)-4-hydroxybutan-2-one C12H11ClO2S 相似度:54.5% Tetrahedron 2012 68 4773-4781 Enantioselective organocatalyzed functionalization of benzothiophene and thiophenecarbaldehyde derivatives Francesco Secci, Enzo Cadoni, Claudia Fattuoni, Angelo Frongia, Giuseppe Bruno, Francesco Nicolò Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . (3S)-(1E,5Z)-3-Hydroxy-1-iodo-1,5-undecadiene 相似度:54.5% Journal of the American Chemical Society 1995 117 6224-6233 Cyclopropane-Containing Eicosanoids of Marine Origin. Biomimetic Synthesis of Constanolactones A and B from the Alga Constantinea simplex James D. White, Mark S. Jensen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . 5,7-Di-tert-butyl-2-(1-methyl)ethylbenzoxazole C18H27NO 相似度:53.8% Molecules 2005 10 783-793 Highly Lipophilic Benzoxazoles with Potential Antibacterial Activity Jarmila Vinsova, Václav Horak, Vladimir Buchta and Jarmila Kaustova Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . 1,3-Bis(5,7-di-tert-butylbenzoxazol-2-yl)propane C33H46N2O2 相似度:53.8% Molecules 2005 10 783-793 Highly Lipophilic Benzoxazoles with Potential Antibacterial Activity Jarmila Vinsova, Václav Horak, Vladimir Buchta and Jarmila Kaustova Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . compound E-IVg C23H38Br2NOP 相似度:53.8% Russian Journal of Organic Chemistry 2002 38 792-801 Phosphirenes and Azaphosphetines: X. 1-Aza-2-phosphabutadienes in Electrophilic Addition of P-Haloiminophosphines to 1-Alkoxyacetylenes: Synthesis and Chemical Properties A. D. Averin, N. V. Lukashev, P. Mukhaiimana, A. A. Borisenko and M. A. Kazankova, et al. Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . compound 2j C11H7BrClN3O 相似度:50% Molecules 2002 7 363-373 Substituted Amides of Pyrazine-2-carboxylic acids: Synthesis and Biological Activity Martin Dolezal, Miroslav Miletin, Jiri Kunes and Katarina Kralova Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 21 . (5,7-Di-tert-butylbenzoxazol-2-yl)phenylmethanol C22H27NO2 相似度:50% Molecules 2005 10 783-793 Highly Lipophilic Benzoxazoles with Potential Antibacterial Activity Jarmila Vinsova, Václav Horak, Vladimir Buchta and Jarmila Kaustova Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 22 . compound 4 相似度:50% Canadian Journal of Chemistry 2010 88 700-708 Intramolecular hydroamination of unactivated alkenes with secondary alkylamines catalyzed by iridium phosphino-phenolate complexes Kevin D. Hesp, Robert McDonald, and Mark Stradiotto Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 23 . compound C12H21N3 相似度:50% Heterocycles 2009 79 1043-1060 Catalytic Asymmetric Synthesis of Both Enantiomers of Pyrrolizidines 223H', 239K', 265H', and 267H' Found in Madagascan Frogs (Mantella) and Their Affinities for Nicotinic Acetylcholine Receptor Yukako Saito, Seiki Takahashi, Nehad Azer, Amira T. Eldefrawi, Mohyee E. Eldefrawi, and Hiroki Takahata Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 24 . compound 10c C18H16N2O4 相似度:50% European Journal of Organic Chemistry 2012 2643-2655 A Joint Experimental and Computational Investigation on Homoconjugated Push-Pull Chromophores Derived from 7,7-Diphenylnorbornane Noelia Herrero-García, María del Rosario Colorado Heras, María del Rosario Torres, Israel Fernández and José Osío Barcina Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 25 . 2-hydroxy-phenyl N-hexylsulfamate 相似度:50% Bioorganic & Medicinal Chemistry 2008 16 3550-3556 Synthetic homoserine lactone-derived sulfonylureas as inhibitors of Vibrio fischeri quorum sensing regulator Marine Frezza, Laurent Soulère, Sylvie Reverchon, Nicolas Guiliani, Carlos Jerez, Yves Queneau, Alain Doutheau Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 26 . 7-(2-pyridyl)triazolylheptahydroxamic acid C14H19N5O2 相似度:50% Bioorganic & Medicinal Chemistry 2008 16 4839-4853 Synthesis and structure–activity relationship of histone deacetylase (HDAC) inhibitors with triazole-linked cap group Po C. Chen, Vishal Patil, William Guerrant, Patience Green, Adegboyega K. Oyelere Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 27 . compound Z-IVa 相似度:50% Russian Journal of Organic Chemistry 2002 38 792-801 Phosphirenes and Azaphosphetines: X. 1-Aza-2-phosphabutadienes in Electrophilic Addition of P-Haloiminophosphines to 1-Alkoxyacetylenes: Synthesis and Chemical Properties A. D. Averin, N. V. Lukashev, P. Mukhaiimana, A. A. Borisenko and M. A. Kazankova, et al. Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 28 . compound E-IVa 相似度:50% Russian Journal of Organic Chemistry 2002 38 792-801 Phosphirenes and Azaphosphetines: X. 1-Aza-2-phosphabutadienes in Electrophilic Addition of P-Haloiminophosphines to 1-Alkoxyacetylenes: Synthesis and Chemical Properties A. D. Averin, N. V. Lukashev, P. Mukhaiimana, A. A. Borisenko and M. A. Kazankova, et al. Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 29 . compound Z-IVe 相似度:50% Russian Journal of Organic Chemistry 2002 38 792-801 Phosphirenes and Azaphosphetines: X. 1-Aza-2-phosphabutadienes in Electrophilic Addition of P-Haloiminophosphines to 1-Alkoxyacetylenes: Synthesis and Chemical Properties A. D. Averin, N. V. Lukashev, P. Mukhaiimana, A. A. Borisenko and M. A. Kazankova, et al. Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 30 . compound E-IVf C22H36Br2NOP 相似度:50% Russian Journal of Organic Chemistry 2002 38 792-801 Phosphirenes and Azaphosphetines: X. 1-Aza-2-phosphabutadienes in Electrophilic Addition of P-Haloiminophosphines to 1-Alkoxyacetylenes: Synthesis and Chemical Properties A. D. Averin, N. V. Lukashev, P. Mukhaiimana, A. A. Borisenko and M. A. Kazankova, et al. Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 31 . compound 4 C12H18O2 相似度:50% The Journal of Antibiotics 2000 53 839-843 Dictyopanines A, B and C, New Bicyclic Sesquiterpene Esters from Dictyopanus sp. HKI 0181 H. DÖRFELT,B. SCHLEGEL and U. GRÄFE Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 32 . 2,5'-di-n-butylquaterthiophene C24H26S4 相似度:50% Tetrahedron 2012 68 2790-2798 Improved stability of organic field-effect transistor performance in oligothiophenes including β-isomers Minoru Ashizawa, Takuro Niimura, Yan Yu, Kazuma Tsuboi, Hidetoshi Matsumoto, Ryo Yamada, Susumu Kawauchi, Akihiko Tanioka, Takehiko Mori Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 33 . (R,S) 3β-benzothiophen-2-yl-8-oxa-bicyclo[3.2.1]-octane-2α-carboxylic acid methyl ester 相似度:50% Bioorganic & Medicinal Chemistry 2012 20 2762-2772 Synthesis and structure–activity relationship studies of 3-biaryl-8-oxabicyclo[3.2.1]octane-2-carboxylic acid methyl esters Lokman Torun, Bertha K. Madras, Peter C. Meltzer Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 34 . acenaphthene 相似度:50% Organic Magnetic Resonance 1976 8 161-164 13C NMR spectroscopy of polycyclic aromatics. VIII—amino derivatives of quinoline, isoquinoline, acenaphthene and fluoranthene Ludger Ernst Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 35 . 5a-Amino-2,4,7,9-tetra-tert-butyl-5a,11,11a,12-tetrahydrochromeno[2,3-b]chromene-11a-carbonitrile 相似度:50% Tetrahedron 2012 68 5612-5618 Convenient one-step synthesis of 4-unsubstituted 2-amino-4H-chromene-2-carbonitriles and 5-unsubstituted 5H-chromeno[2,3-b]pyridine-3-carbonitriles from quaternary ammonium salts Vitaly A. Osyanin, Dmitry V. Osipov, Yuri N. Klimochkin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- |
2楼2013-03-05 12:15:16
Sunfree2011
木虫 (小有名气)
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3楼2013-03-07 10:10:43
潘宪伟
木虫 (正式写手)
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4楼2013-03-07 10:52:57