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2-(PENTYLTHIO)-2,2,2',4'-TETRAFLUOROACETOPHENONE
SpectraBase Compound ID F53pBpIGPPE
InChI InChI=1S/C13H14F4OS/c1-2-3-4-7-19-13(16,17)12(18)10-6-5-9(14)8-11(10)15/h5-6,8H,2-4,7H2,1H3
InChIKey RATOWWYYAGFMBO-UHFFFAOYSA-N
Mol Weight 294.31 g/mol
Molecular Formula C13H14F4OS
Exact Mass 294.070149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GdTL606kEeJ
Name 1-(2,4-difluorophenyl)-2,2-difluoro-2-(pentylthio)ethanone
Alternate Name(s) 1-[2,4-bis(fluoranyl)phenyl]-2,2-bis(fluoranyl)-2-pentylsulfanyl-ethanone 2-(amylthio)-1-(2,4-difluorophenyl)-2,2-difluoro-ethanone 1-(2,4-difluorophenyl)-2,2-difluoro-2-pentylsulfanylethanone
Comments Less than 3 mono-isotopic peaks
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Formula C13H14F4OS
InChI InChI=1S/C13H14F4OS/c1-2-3-4-7-19-13(16,17)12(18)10-6-5-9(14)8-11(10)15/h5-6,8H,2-4,7H2,1H3
InChIKey RATOWWYYAGFMBO-UHFFFAOYSA-N
Molecular Weight 294.308 g/mol
SMILES C(C(F)(F)SCCCCC)(=O)c1c(cc(cc1)F)F
SPLASH splash10-0006-0900000000-0b9c938d23565c875a81
Source of Spectrum E2-49-177-3
Wiley ID 1555529