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(Z)-4-PHENYL-3-(PHENYLTHIO)-2-(TRIFLUOROMETHYL)-BUT-1,3-DIENE
SpectraBase Compound ID 87vruo8pVyW
InChI InChI=1S/C17H13F3S/c1-13(17(18,19)20)16(12-14-8-4-2-5-9-14)21-15-10-6-3-7-11-15/h2-12H,1H2/b16-12-
InChIKey GDQULQBJWIFEPZ-VBKFSLOCSA-N
Mol Weight 306.35 g/mol
Molecular Formula C17H13F3S
Exact Mass 306.069006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AAEClDFJgDz
Name (Z)-4-PHENYL-3-(PHENYLTHIO)-2-(TRIFLUOROMETHYL)-BUT-1,3-DIENE
Compound Number 22B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H13F3S
InChI InChI=1S/C17H13F3S/c1-13(17(18,19)20)16(12-14-8-4-2-5-9-14)21-15-10-6-3-7-11-15/h2-12H,1H2/b16-12-
InChIKey GDQULQBJWIFEPZ-VBKFSLOCSA-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 306.345 g/mol
Sample ID 41165
Solvent CDCl3