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(Z)-1,1,1-TRIFLUORO-7,7-DIMETHYL-3-(PHENYLTHIO)-OCT-3-EN-5-YN-2-ONE
SpectraBase Compound ID DX6rJxVngv6
InChI InChI=1S/C16H15F3OS/c1-15(2,3)11-7-10-13(14(20)16(17,18)19)21-12-8-5-4-6-9-12/h4-6,8-10H,1-3H3/b13-10-
InChIKey CZHOIIMWAUJTAE-RAXLEYEMSA-N
Mol Weight 312.35 g/mol
Molecular Formula C16H15F3OS
Exact Mass 312.079571 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6WMoXt6MoFc
Name (Z)-1,1,1-TRIFLUORO-7,7-DIMETHYL-3-(PHENYLTHIO)-OCT-3-EN-5-YN-2-ONE
Compound Number 9D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H15F3OS
InChI InChI=1S/C16H15F3OS/c1-15(2,3)11-7-10-13(14(20)16(17,18)19)21-12-8-5-4-6-9-12/h4-6,8-10H,1-3H3/b13-10-
InChIKey CZHOIIMWAUJTAE-RAXLEYEMSA-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
Solvent CDCl3
Source File Reference UWSI41154