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7-{4-[(difluoromethyl)sulfanyl]phenyl}-5-hydroxy-1,3-benzoxathiol-2-one
SpectraBase Compound ID JKTQ7oKuNoC
InChI InChI=1S/C14H8F2O3S2/c15-13(16)20-9-3-1-7(2-4-9)10-5-8(17)6-11-12(10)19-14(18)21-11/h1-6,13,17H
InChIKey QHQKHUSTTVWBQF-UHFFFAOYSA-N
Mol Weight 326.33 g/mol
Molecular Formula C14H8F2O3S2
Exact Mass 325.988293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DALewuEg8Ek
Name 7-{4-[(difluoromethyl)sulfanyl]phenyl}-5-hydroxy-1,3-benzoxathiol-2-one
Alternate Name(s) 7-[4-(difluoromethylthio)phenyl]-5-hydroxy-1,3-benzoxathiol-2-one 7-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-5-oxidanyl-1,3-benzoxathiol-2-one Benzo[1,3]oxathiol-2-one, 7-(4-difluoromethylsulfanylphenyl)-5-hydroxy-
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Formula C14H8F2O3S2
InChI InChI=1S/C14H8F2O3S2/c15-13(16)20-9-3-1-7(2-4-9)10-5-8(17)6-11-12(10)19-14(18)21-11/h1-6,13,17H
InChIKey QHQKHUSTTVWBQF-UHFFFAOYSA-N
Molecular Weight 326.332 g/mol
SMILES Oc1cc(c2c(SC(O2)=O)c1)-c1ccc(SC(F)F)cc1
SPLASH splash10-000i-5921000000-ed48ecfeaf1caea66e5e
Wiley ID 1440859