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(Z)-1,1,1-TRIFLUORO-5,5-DIMETHYL-3-(PHENYLTHIO)-HEX-3-EN-2-ONE
SpectraBase Compound ID CjbDm1KYbJ2
InChI InChI=1S/C14H15F3OS/c1-13(2,3)9-11(12(18)14(15,16)17)19-10-7-5-4-6-8-10/h4-9H,1-3H3/b11-9-
InChIKey WSJJNUJBDFPDSB-LUAWRHEFSA-N
Mol Weight 288.33 g/mol
Molecular Formula C14H15F3OS
Exact Mass 288.079571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bmai6rPGncS
Name (Z)-1,1,1-TRIFLUORO-5,5-DIMETHYL-3-(PHENYLTHIO)-HEX-3-EN-2-ONE
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H15F3OS
InChI InChI=1S/C14H15F3OS/c1-13(2,3)9-11(12(18)14(15,16)17)19-10-7-5-4-6-8-10/h4-9H,1-3H3/b11-9-
InChIKey WSJJNUJBDFPDSB-LUAWRHEFSA-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 288.328 g/mol
Sample ID 41152
Solvent CDCl3