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ETHYL-2-BENZYLOXY-3-METHYL-2-TRIFLUOROMETHYL-4-HEXENOATE;MAJOR-ISOMER
SpectraBase Compound ID 2hVixn7bOIb
InChI InChI=1S/C17H21F3O3/c1-4-9-13(3)16(17(18,19)20,15(21)22-5-2)23-12-14-10-7-6-8-11-14/h4,6-11,13H,5,12H2,1-3H3/b9-4+
InChIKey ZEJSTMJOUJYOCI-RUDMXATFSA-N
Mol Weight 330.35 g/mol
Molecular Formula C17H21F3O3
Exact Mass 330.144279 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8gWRHAyifSr
Name ETHYL-2-BENZYLOXY-3-METHYL-2-TRIFLUOROMETHYL-4-HEXENOATE;MINOR-ISOMER
Compound Number 5K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H21F3O3
InChI InChI=1S/C17H21F3O3/c1-4-9-13(3)16(17(18,19)20,15(21)22-5-2)23-12-14-10-7-6-8-11-14/h4,6-11,13H,5,12H2,1-3H3/b9-4+
InChIKey ZEJSTMJOUJYOCI-RUDMXATFSA-N
Literature Reference Author Y.KOMATSU,T.SAKAMOTO,T.KITAZUME
Literature Reference Citation J.ORG.CHEM.,64,8369(1999)
Literature Reference DOI 10.1021/jo990463r
Solvent CDCl3
Source File Reference UWSI41393