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6-Phenyl-4-(trifluoromethyl)isothiazolo[5,4-b]pyridin-3(2H)-one

View entire compound with spectra: 1 NMR, and 2 MS (GC)

6-Phenyl-4-(trifluoromethyl)isothiazolo[5,4-b]pyridin-3(2H)-one
SpectraBase Compound ID HG8OesuzpGe
InChI InChI=1S/C13H7F3N2OS/c14-13(15,16)8-6-9(7-4-2-1-3-5-7)17-12-10(8)11(19)18-20-12/h1-6H,(H,18,19)
InChIKey ZYIDVWNOIZYWOG-UHFFFAOYSA-N
Mol Weight 296.27 g/mol
Molecular Formula C13H7F3N2OS
Exact Mass 296.023119 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9DYcyUfPwme
Name 6-Phenyl-4-(trifluoromethyl)isothiazolo[5,4-b]pyridin-3(2H)-one
Alternate Name(s) 6-Phenyl-4-(trifluoromethyl)-3-isothiazolo[5,4-b]pyridinone 6-Phenyl-4-(trifluoromethyl)-[1,2]thiazolo[5,4-b]pyridin-3-one 6-Phenyl-4-(trifluoromethyl)isothiazolo[5,4-b]pyridin-3-one
CAS Registry Number 296797-11-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H7F3N2OS
InChI InChI=1S/C13H7F3N2OS/c14-13(15,16)8-6-9(7-4-2-1-3-5-7)17-12-10(8)11(19)18-20-12/h1-6H,(H,18,19)
InChIKey ZYIDVWNOIZYWOG-UHFFFAOYSA-N
Molecular Weight 296.267 g/mol
SMILES N1Sc2nc(cc(c2C1=O)C(F)(F)F)-c1ccccc1
SPLASH splash10-0f92-7590000000-9352336ce2eeb0626088
Wiley ID 1467686