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(Z)-1,1,1,2,2-PENTAFLUORO-6,6-DIMETHYL-4-(PHENYLTHIO)-HEPT-4-EN-3-ONE
SpectraBase Compound ID 4vj96T0AbuM
InChI InChI=1S/C15H15F5OS/c1-13(2,3)9-11(22-10-7-5-4-6-8-10)12(21)14(16,17)15(18,19)20/h4-9H,1-3H3/b11-9-
InChIKey NQKIMEDBZXHPEI-LUAWRHEFSA-N
Mol Weight 338.34 g/mol
Molecular Formula C15H15F5OS
Exact Mass 338.076377 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 63opMp8hypt
Name (Z)-1,1,1,2,2-PENTAFLUORO-6,6-DIMETHYL-4-(PHENYLTHIO)-HEPT-4-EN-3-ONE
Compound Number 10A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H15F5OS
InChI InChI=1S/C15H15F5OS/c1-13(2,3)9-11(22-10-7-5-4-6-8-10)12(21)14(16,17)15(18,19)20/h4-9H,1-3H3/b11-9-
InChIKey NQKIMEDBZXHPEI-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 338.336 g/mol
Sample ID 41156
Solvent CDCl3