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 Google Search
Mol Weight	378.24 g/mol
Molecular Formula	C12H8F6O5S
Exact Mass	377.999664 g/mol

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SpectraBase Spectrum ID	JnnER01x5fU
Name	3,4-METHYLENEDIOXY-6-(2-METHOXYCARBONYL-1,1,1,3,3,3-HEXAFLUOROPROP-2-YLTHIO)PHENOL
Comments	SCALE INVERTED;WP-200SY (BRUKER)
Copyright	Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
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
Instrument Name	SEE COMMENT
Literature Reference	A.YU.SIZOV, A.F.KOLOMIETS, A.V.FOKIN (1991) Izv.Akad.Nauk SSSR(Russ. Lang.): N7,1619-1625.
NMR Standard	-CF3COOH
Observed nucleus	19F
Origin	Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent	C3D6O acetone-d6