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[求助]
求助3个化合物的微谱数据
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化合物一：171.963,169.690,169.556,74.622,65.967,63.764,52.451,22.509,20.867,20.820,20.788,20.706 化合物二： 169.861,69.782,67.189,59.903,55.355,44.200,29.648,21.498,20.793,20.745,20.711 化合物三： 171.677,,150.811,24.949 精确查询，麻烦各位高手了，小弟刚入门，不懂的还希望各位教教我啊, |
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yaolan123
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化合物3模糊查询 查询结果：共查到4个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . L-Cysteine 相似度:66.6% Magnetic Resonance in Chemistry 2005 43 543-550 Complexes of diphenylarsinic acid and phenylarsonic acid with thiols: a 1H and 13C NMR study Takashi Nakayama, Tomohiko Isobe, Kunichika Nakamiya, John S. Edmonds, Yasuyuki Shibata and Masatoshi Morita Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . Pyridine-4-carbonyl azide 相似度:50% Journal of Heterocyclic Chemistry 2005 42 259-264 Nitropyridyl isocyanates Jarle Holt,Trygve Andreassen,Jan M. Bakke and Anne Fiksdahl Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . tetrahydrofuran 相似度:50% Journal of Heterocyclic Chemistry 2000 37 1351-1353 Ring opening of cyclic ethers by sulfuric acid - acetic anhydride Yasuhiro Tanoue, Moritsugu Hamada, Norihisa Kai, Takeshi Nagai, Kazunori Sakata, Mamoru Hashimoto and Shin-Ichi Morishita Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . Compound 4 相似度:50% Magnetic Resonance in Chemistry 2008 46 170-173 Substituent effects on 13C chemical shifts of alkyl-substituted 4-oxo-1, 3-dioxolanes and 5-oxo-1, 3-oxathiolanes (pages 170–173) Kalevi Pihlaja, Kyllikki Rossi and Timo Nurmi Structure 13C NMR 碳谱模拟图 |
7楼2013-05-23 13:58:04
yaolan123
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2楼2013-05-23 13:52:44
yaolan123
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化合物2精确查询无数据 模糊查询结果 1 . compound 5b(minorr isomer 1) C16H21NO3 相似度:63.6% Heterocycles 2008 75 2429-2441 Aldolisation and Carboxylation Reactions from α-Silyl-β-lactams. A Combined Theoretical and Experimental Study Sabrina Parat, Béatrice Pelotier, Lycia Fournier, Michel Rajzmann, Philip J. Kocienski, and Jean-Marc Pons Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . compound 20 相似度:63.6% Tetrahedron Letters 2001 42 6797-6801 Novel and convenient method for the syntheses of 2,6-dideoxypyranoses, 3,6-dideoxypyranoses, and azido (amino) analogs of 3,6-dideoxypyranoses Cheng-Wei Tom Chang, Terri Clark, Mumbi Ngaara Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . methyl 3,4-di-O-acetyl-2,6-dideoxy-α-L-lyxohexopyranoside 相似度:63.6% The Journal of Antibiotics 1981 34 1019-1025 NEW ADRIAMYCIN ANALOGS SYNTHESIS AND ANTITUMOR ACTIVITY OF 14-SUBSTITUTED 7-O-(3, 4-DI-O-ACETYL-2, 6-DIDEOXY-α-L-lyxo- HEXOPYRANOSYL)DAUNOMYCINONES DEREK HORTON, WALDEMAR PRIEBE Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . [4R*,5R*,6S*]-1,7-Dioxaspiro[5.5]undec-4,5-diyl diacetate C13H20O6 相似度:61.5% Molecules 1997 2 M21 [4R*, 5R*, 6S*]-1, 7-Dioxaspiro[5.5]undec-4, 5-diyl Diacetate Margaret A. Brimble and Andrew D. Johnston Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . compound 5 C13H19IO8 相似度:61.5% Heterocycles 2010 81 2569-2580 Convertible Formation of Different Glycoside Using Molecular Iodine Rungnapha Saeeng, Uthaiwan Sirion, Yada Sirichan, Thanida Trakulsujaritchok, and Poolsak Sahakitpichan Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . compound 14 C12H17IO8 相似度:58.3% Heterocycles 2010 81 2569-2580 Convertible Formation of Different Glycoside Using Molecular Iodine Rungnapha Saeeng, Uthaiwan Sirion, Yada Sirichan, Thanida Trakulsujaritchok, and Poolsak Sahakitpichan Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . 1,3,4,6-tetra-O-acetyl-2-deoxy-5a-carba-α-Dlallopyranose C15H22O8 相似度:58.3% Tetrahedron Letters 2001 42 7041-7043 Synthesis of new 2- or 3-deoxy carbapyranoses from furan Odón Arjona, Gema Lorenzo, Rocı́o Medel, Joaquı́n Plumet Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . 3,3,7,7-tetramethyl-5-oxa-1,2:8,9-diepoxynonan-4-one 相似度:58.3% Russian Journal of Organic Chemistry 2001 37 695-699 Geminal Dimethyl-Substituted Functionalized C4-Synthons from Pantolactone F. A. Akbutina, I. F. Sadretdinov, E. V. Vasil'eva and M. S. Miftakhov Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . compound 3b 相似度:58.3% Organic Magnetic Resonance 1984 22 738-740 1H and 13 NMR data of 1,2-epoxymenthane derivatives Eszter Gács-Baitz, György Kalaus and Péter Györy Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . 2,3,4,5-Tetra-O-acetyl-1-azido-1-deoxy-D-mannitol C14H21O9N3 相似度:57.1% Chemical & Pharmaceutical Bulletin 2011 59(10) 1307-1310 Synthesis of New Galβ1→4Fuc Segments Useful for Biological Investigations Kazusa NISHIYAMA, Atsushi YAMADA, Tomoharu TAKEUCHI, Yoichiro ARATA, Ken-ichi KASAI, Tetsuta OSHITARI, Hideaki NATSUGARI, and Hideyo TAKAHASHI Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . Compound 2 相似度:57.1% Phytochemical Analysis 1991 2 120-124 Unambiguous nuclear magnetic resonance assignments for swainsonine, an indolizidine alkaloid with -mannosidase inhibitory activity Leonardus B. S. Kardono, A. Douglas Kinghorn and Russell J. Molyneux Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . N-(3,4,6-Tri-O-acetyl-2-deoxy-2-iodo-α-D-talopyranosyl)-succinimide C16H20INO9 相似度:57.1% Bioorganic & Medicinal Chemistry 1994 2 1281-1294 Synthesis and structural studies of asparagine-modified 2-deoxy-α-N-glycopeptides associated with the renin-Angiotensin system Lothar Laupichle, Carsten Endres Sowa, Joachim Thiem Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . rel- (1R,2R,3R,4S,6S)-p-menthane-1,2,3,6-tetrol C10H20O4 相似度:54.5% Helvetica Chimica Acta 2006 Vol. 89 558 Terpenoids from Eupatorium fortunei TURCZ Hai-Xia Jiang, Ya Li, Jing Pan, and Kun Gao Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . acetylation of parasitenone C11H12O6 相似度:54.5% Journal of Natural Products 2002 65 794-795 Parasitenone, a New Epoxycyclohexenone Related to Gabosine from the Marine-Derived Fungus Aspergillus parasiticus Byeng Wha Son,Jin Seok Choi, Jung Chul Kim, Ki Wan Nam, Dong-Soo Kim, Hae Young Chung,Jung Sook Kang, and Hong Dae Choi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . compound 4a 相似度:54.5% Planta Medica 1991 57 450-453 Acetylenes and Other Constituents from Artemisia dracunculus J. Jakupovic,R. X. Tan, F. Bohlmann, Z. J. Jia, and S. Huneck Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . 2-triacetate 相似度:54.5% Chemical & Pharmaceutical Bulletin 1993 41 1667-1669 New Monoterpenoid and Hemiterpenoid Tetraol of the Crude Drug "She chuang zi" Junichi KITAJIMA and Yasuko TANAKA Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . (1S*,2S*,3S*,4R*,6R*)-1,2,3,6-tetrahydroxy-P-menthane C10H19O4 相似度:54.5% Chinese Chemical Letters 2005 16 1217-1219 Highly Oxygenated Monoterpenes from Eupatorium fortunei Hal XiaⅡANG Kun GAO Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . Methyl-4,6-di-O-acetyl-2,3-dideoxy-D-threo-hexopyranoside 相似度:54.5% Molecules 2005 10 871-883 Towards a Synthesis of Vigabatrin Using Glycal Chemistry S. Boga, J. Aidhen and I. Aidhen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . 1-butyl-3-chloro-4-phenylazetidin-2-one C13H16NOCI 相似度:54.5% Journal of Heterocyclic Chemistry 2006 43 11-19 Aziridines as templates: A general strategy for the stereospecific synthesis of 2-azetidinones S. D. Sharma,Seema Kanwar and Shivani Rajpoot Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . 2-methyltetrahydropyran 相似度:54.5% Journal of Heterocyclic Chemistry 2000 37 1351-1353 Ring opening of cyclic ethers by sulfuric acid - acetic anhydride Yasuhiro Tanoue, Moritsugu Hamada, Norihisa Kai, Takeshi Nagai, Kazunori Sakata, Mamoru Hashimoto and Shin-Ichi Morishita Structure 13C NMR 碳谱模拟图 |
3楼2013-05-23 13:55:04
4楼2013-05-23 13:55:09