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3,3-Difluoro-3-(6-hydroxy-benzo[1,3]dioxol-5-ylsulfanyl)-2-trifluoromethyl-propionic acid methyl ester
SpectraBase Compound ID HcBUE4Bkt7k
InChI InChI=1S/C12H9F5O5S/c1-20-10(19)9(11(13,14)15)12(16,17)23-8-3-7-6(2-5(8)18)21-4-22-7/h2-3,9,18H,4H2,1H3
InChIKey APNIKOAEWLEPFY-UHFFFAOYSA-N
Mol Weight 360.25 g/mol
Molecular Formula C12H9F5O5S
Exact Mass 360.009085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ZXGkIqM6Hi
Name 3,3-Difluoro-3-(6-hydroxy-benzo[1,3]dioxol-5-ylsulfanyl)-2-trifluoromethyl-propionic acid methyl ester
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Formula C12H9F5O5S
InChI InChI=1S/C12H9F5O5S/c1-20-10(19)9(11(13,14)15)12(16,17)23-8-3-7-6(2-5(8)18)21-4-22-7/h2-3,9,18H,4H2,1H3
InChIKey APNIKOAEWLEPFY-UHFFFAOYSA-N
Molecular Weight 360.251 g/mol
SMILES Oc1cc2OCOc2cc1SC(C(C(F)(F)F)C(=O)OC)(F)F
SPLASH splash10-014i-4901000000-e2371ab0486b8992e5ae
Synonyms 2-[difluoro-[(6-hydroxy-1,3-benzodioxol-5-yl)thio]methyl]-3,3,3-trifluoro-propionic acid methyl ester 2-[difluoro-[(6-hydroxy-1,3-benzodioxol-5-yl)thio]methyl]-3,3,3-trifluoropropanoic acid methyl ester Methyl 2-[bis(fluoranyl)-[(6-oxidanyl-1,3-benzodioxol-5-yl)sulfanyl]methyl]-3,3,3-tris(fluoranyl)propanoate Methyl 2-[difluoro-[(6-hydroxy-1,3-benzodioxol-5-yl)sulfanyl]methyl]-3,3,3-trifluoro-propanoate
Wiley ID 1464567