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3-{[2'-(Trifluoromethyl)anilino]methylene}-thiochroman-2,4-dione
SpectraBase Compound ID 830KQzDHh0a
InChI InChI=1S/C17H10F3NO2S/c18-17(19,20)12-6-2-3-7-13(12)21-9-11-15(22)10-5-1-4-8-14(10)24-16(11)23/h1-9,21H/b11-9-
InChIKey AFJBJVVIDYFKGB-LUAWRHEFSA-N
Mol Weight 349.33 g/mol
Molecular Formula C17H10F3NO2S
Exact Mass 349.038434 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CrO8fFhrCRk
Name 3-{[2'-(Trifluoromethyl)anilino]methylene}-thiochroman-2,4-dione
Alternate Name(s) (3Z)-3-{[2-(trifluoromethyl)anilino]methylene}-2H-1-benzothiopyran-2,4(3H)-dione
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Formula C17H10F3NO2S
InChI InChI=1S/C17H10F3NO2S/c18-17(19,20)12-6-2-3-7-13(12)21-9-11-15(22)10-5-1-4-8-14(10)24-16(11)23/h1-9,21H/b11-9-
InChIKey AFJBJVVIDYFKGB-LUAWRHEFSA-N
Molecular Weight 349.327 g/mol
SMILES N(\C=C/1C(Sc2c(C1=O)cccc2)=O)c1c(C(F)(F)F)cccc1
SPLASH splash10-000j-0908000000-05a8ebbca63c4d54269c
Source of Spectrum MZ-34-2057-6
Wiley ID 1582328