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(Z)-1,1,1-Trifluoro-3,4-bis-(2-fluoro-phenylsulfanyl)-but-3-en-2-one
SpectraBase Compound ID EQB8otnSt5l
InChI InChI=1S/C16H9F5OS2/c17-10-5-1-3-7-12(10)23-9-14(15(22)16(19,20)21)24-13-8-4-2-6-11(13)18/h1-9H/b14-9-
InChIKey KKQICWBTBYTSLS-ZROIWOOFSA-N
Mol Weight 376.36 g/mol
Molecular Formula C16H9F5OS2
Exact Mass 376.001498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1DF1ByMmCdy
Name (Z)-1,1,1-Trifluoro-3,4-bis-(2-fluoro-phenylsulfanyl)-but-3-en-2-one
Alternate Name(s) (Z)-1,1,1-trifluoro-3,4-bis((2-fluorophenyl)thio)but-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9F5OS2
InChI InChI=1S/C16H9F5OS2/c17-10-5-1-3-7-12(10)23-9-14(15(22)16(19,20)21)24-13-8-4-2-6-11(13)18/h1-9H/b14-9-
InChIKey KKQICWBTBYTSLS-ZROIWOOFSA-N
Literature Reference DOI 10.1002/cjoc.201090275
Molecular Weight 376.359 g/mol
SMILES c1c(S\C=C\(Sc2ccccc2F)C(=O)C(F)(F)F)c(F)ccc1
SPLASH splash10-004i-1009000000-835dcd39d1341f04d3c4
Source of Spectrum CJC-28-1628-8c
Wiley ID 1772443