John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=KrRFmN1l5jK SpectraBase Spectrum ID=10fuXb0YR7C

(accessed ).
(Z)-1,1,1-TRIFLUORO-4-PHENYL-3-(PHENYLTHIO)-BUT-3-EN-2-ONE
SpectraBase Compound ID KrRFmN1l5jK
InChI InChI=1S/C16H11F3OS/c17-16(18,19)15(20)14(11-12-7-3-1-4-8-12)21-13-9-5-2-6-10-13/h1-11H/b14-11-
InChIKey XFTZPNMPQYHEKD-KAMYIIQDSA-N
Mol Weight 308.32 g/mol
Molecular Formula C16H11F3OS
Exact Mass 308.048272 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10fuXb0YR7C
Name (Z)-1,1,1-TRIFLUORO-4-PHENYL-3-(PHENYLTHIO)-BUT-3-EN-2-ONE
Compound Number 9A
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H11F3OS
InChI InChI=1S/C16H11F3OS/c17-16(18,19)15(20)14(11-12-7-3-1-4-8-12)21-13-9-5-2-6-10-13/h1-11H/b14-11-
InChIKey XFTZPNMPQYHEKD-KAMYIIQDSA-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 308.318 g/mol
Sample ID 41131
Solvent CDCl3
SpectraBase Batch ID 6cNDDQoGUjC