John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=3MwWMr6IK9J SpectraBase Spectrum ID=1kLxHq225IY

(accessed ).
(3-Z,5-E)-1,1,1-TRIFLUORO-3-(METHYLTHIO)-6-PHENYLHEX-3,5-DIEN-2-ONE
SpectraBase Compound ID 3MwWMr6IK9J
InChI InChI=1S/C13H11F3OS/c1-18-11(12(17)13(14,15)16)9-5-8-10-6-3-2-4-7-10/h2-9H,1H3/b8-5+,11-9-
InChIKey SUXBIJZRCPFNAV-PAUBHIBZSA-N
Mol Weight 272.29 g/mol
Molecular Formula C13H11F3OS
Exact Mass 272.048272 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1kLxHq225IY
Name (3-Z,5-E)-1,1,1-TRIFLUORO-3-(METHYLTHIO)-6-PHENYLHEX-3,5-DIEN-2-ONE
Compound Number 11B
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H11F3OS
InChI InChI=1S/C13H11F3OS/c1-18-11(12(17)13(14,15)16)9-5-8-10-6-3-2-4-7-10/h2-9H,1H3/b8-5+,11-9-
InChIKey SUXBIJZRCPFNAV-PAUBHIBZSA-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 272.285 g/mol
Sample ID 41159
Solvent CDCl3
SpectraBase Batch ID 4DKWbaNQzkI