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(2-E,5-E)-2-ETHOXY-1,1,1-TRIFLUORO-6-PHENYL-3-(PHENYLTHIO)-HEXA-2,5-DIEN-4-OL
SpectraBase Compound ID Bsde2Gx9BxY
InChI InChI=1S/C20H19F3O2S/c1-2-25-19(20(21,22)23)18(26-16-11-7-4-8-12-16)17(24)14-13-15-9-5-3-6-10-15/h3-14,17,24H,2H2,1H3/b14-13+,19-18+
InChIKey XBMLJKWROPYNGS-CDSOMVEVSA-N
Mol Weight 380.43 g/mol
Molecular Formula C20H19F3O2S
Exact Mass 380.105786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GK0BWynB8VL
Name (2-E,5-E)-2-ETHOXY-1,1,1-TRIFLUORO-6-PHENYL-3-(PHENYLTHIO)-HEXA-2,5-DIEN-4-OL
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H19F3O2S
InChI InChI=1S/C20H19F3O2S/c1-2-25-19(20(21,22)23)18(26-16-11-7-4-8-12-16)17(24)14-13-15-9-5-3-6-10-15/h3-14,17,24H,2H2,1H3/b14-13+,19-18+
InChIKey XBMLJKWROPYNGS-CDSOMVEVSA-N
Literature Reference Author M.YOSHIMATSU,T.SUGIMOTO,N.OKADA,S.KINOSHITA
Literature Reference Citation J.ORG.CHEM.,64,5162(1999)
Literature Reference DOI 10.1021/jo990282p
Molecular Weight 380.425 g/mol
Sample ID 41127
Solvent CDCl3