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ALPHA,ALPHA-DIFLUORO-ALPHA-(METHYLTHIO)-ACETOPHENONE
SpectraBase Compound ID AGtozbUclEW
InChI InChI=1S/C9H8F2OS/c1-13-9(10,11)8(12)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey IBBJRVBEYCBCIV-UHFFFAOYSA-N
Mol Weight 202.22 g/mol
Molecular Formula C9H8F2OS
Exact Mass 202.026392 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IftwiA9hgnK
Name 2,2-bis(fluoranyl)-2-methylsulfanyl-1-phenyl-ethanone
Alternate Name(s) 2,2-difluoro-2-(methylthio)-1-phenyl-ethanone 2,2-difluoro-2-(methylthio)-1-phenylethanone 2,2-difluoro-2-methylsulfanyl-1-phenylethanone
Comments Less than 3 mono-isotopic peaks
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Formula C9H8F2OS
InChI InChI=1S/C9H8F2OS/c1-13-9(10,11)8(12)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey IBBJRVBEYCBCIV-UHFFFAOYSA-N
Molecular Weight 202.219 g/mol
SMILES C(C(F)(F)SC)(=O)c1ccccc1
SPLASH splash10-0a4i-0900000000-77bf2b0320c50204b9b7
Source of Spectrum E2-49-177-3
Wiley ID 1555528