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3,3,3-Trifluoro-2-(6-hydroxy-benzo[1,3]dioxol-5-ylsulfanyl)-2-trifluoromethyl-propionic acid methyl ester
SpectraBase Compound ID NWVQQXAyip
InChI InChI=1S/C12H8F6O5S/c1-21-9(20)10(11(13,14)15,12(16,17)18)24-8-3-7-6(2-5(8)19)22-4-23-7/h2-3,19H,4H2,1H3
InChIKey GQMKCJBFRLGXBT-UHFFFAOYSA-N
Mol Weight 378.24 g/mol
Molecular Formula C12H8F6O5S
Exact Mass 377.999664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G6jFKvw23m0
Name 3,3,3-Trifluoro-2-(6-hydroxy-benzo[1,3]dioxol-5-ylsulfanyl)-2-trifluoromethyl-propionic acid methyl ester
Alternate Name(s) 3,3,3-trifluoro-2-[(6-hydroxy-1,3-benzodioxol-5-yl)thio]-2-(trifluoromethyl)propanoic acid methyl ester 3,3,3-trifluoro-2-[(6-hydroxy-1,3-benzodioxol-5-yl)thio]-2-(trifluoromethyl)propionic acid methyl ester Methyl 3,3,3-trifluoro-2-[(6-hydroxy-1,3-benzodioxol-5-yl)sulfanyl]-2-(trifluoromethyl)propanoate Methyl 3,3,3-tris(fluoranyl)-2-[(6-oxidanyl-1,3-benzodioxol-5-yl)sulfanyl]-2-(trifluoromethyl)propanoate
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Formula C12H8F6O5S
InChI InChI=1S/C12H8F6O5S/c1-21-9(20)10(11(13,14)15,12(16,17)18)24-8-3-7-6(2-5(8)19)22-4-23-7/h2-3,19H,4H2,1H3
InChIKey GQMKCJBFRLGXBT-UHFFFAOYSA-N
Molecular Weight 378.241 g/mol
SMILES Oc1cc2OCOc2cc1SC(C(F)(F)F)(C(F)(F)F)C(=O)OC
SPLASH splash10-014i-9800000000-4ecf8df927665cb8848f
Wiley ID 1464063