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(Z)-1,1,1,2,2-PENTAFLUORO-4-(METHYLTHIO)-5-PHENYLPENT-4-EN-3-ONE
SpectraBase Compound ID 3eLgx6cIs9e
InChI InChI=1S/C12H9F5OS/c1-19-9(7-8-5-3-2-4-6-8)10(18)11(13,14)12(15,16)17/h2-7H,1H3/b9-7-
InChIKey WFQGCYPOHLXREW-CLFYSBASSA-N
Mol Weight 296.26 g/mol
Molecular Formula C12H9F5OS
Exact Mass 296.029427 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JaRH6SM4zJn
Name (Z)-1,1,1,2,2-PENTAFLUORO-4-(METHYLTHIO)-5-PHENYLPENT-4-EN-3-ONE
Compound Number 12A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H9F5OS
InChI InChI=1S/C12H9F5OS/c1-19-9(7-8-5-3-2-4-6-8)10(18)11(13,14)12(15,16)17/h2-7H,1H3/b9-7-
InChIKey WFQGCYPOHLXREW-CLFYSBASSA-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 296.255 g/mol
Sample ID 41133
Solvent CDCl3