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3,3,3-Trifluoro-2-(4-hydroxy-3-methyl-phenylsulfanyl)-2-trifluoromethyl-propionic acid methyl ester
SpectraBase Compound ID EVqvf1jp9PI
InChI InChI=1S/C12H10F6O3S/c1-6-5-7(3-4-8(6)19)22-10(9(20)21-2,11(13,14)15)12(16,17)18/h3-5,19H,1-2H3
InChIKey PGOPYCDXZDVAOG-UHFFFAOYSA-N
Mol Weight 348.26 g/mol
Molecular Formula C12H10F6O3S
Exact Mass 348.025484 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BF6IPkJjdCq
Name 3,3,3-Trifluoro-2-(4-hydroxy-3-methyl-phenylsulfanyl)-2-trifluoromethyl-propionic acid methyl ester
Alternate Name(s) 3,3,3-trifluoro-2-[(4-hydroxy-3-methyl-phenyl)thio]-2-(trifluoromethyl)propionic acid methyl ester 3,3,3-trifluoro-2-[(4-hydroxy-3-methylphenyl)thio]-2-(trifluoromethyl)propanoic acid methyl ester Methyl 3,3,3-trifluoro-2-(4-hydroxy-3-methyl-phenyl)sulfanyl-2-(trifluoromethyl)propanoate Methyl 3,3,3-tris(fluoranyl)-2-(3-methyl-4-oxidanyl-phenyl)sulfanyl-2-(trifluoromethyl)propanoate
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Formula C12H10F6O3S
InChI InChI=1S/C12H10F6O3S/c1-6-5-7(3-4-8(6)19)22-10(9(20)21-2,11(13,14)15)12(16,17)18/h3-5,19H,1-2H3
InChIKey PGOPYCDXZDVAOG-UHFFFAOYSA-N
Molecular Weight 348.259 g/mol
SMILES Oc1c(cc(cc1)SC(C(OC)=O)(C(F)(F)F)C(F)(F)F)C
SPLASH splash10-000i-9600000000-2bb8388a6b4363cb20e2
Wiley ID 1464342