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3,3,3-Trifluoro-2-(4-hydroxy-2-methoxy-phenylsulfanyl)-2-trifluoromethyl-propionic acid methyl ester
SpectraBase Compound ID 8HNhErOuVNZ
InChI InChI=1S/C12H10F6O4S/c1-21-7-5-6(19)3-4-8(7)23-10(9(20)22-2,11(13,14)15)12(16,17)18/h3-5,19H,1-2H3
InChIKey HCPAHPAKBJCBDF-UHFFFAOYSA-N
Mol Weight 364.26 g/mol
Molecular Formula C12H10F6O4S
Exact Mass 364.020399 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8IXERPDCwPI
Name 4-(2-METHOXYCARBONYL-1,1,1,3,3,3-HEXAFLUOROPROP-2-YLTHIO)-3-METHOXYPHENOL
Comments SCALE INVERTED;WP-200SY (BRUKER)
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Formula C12H10F6O4S
InChI InChI=1S/C12H10F6O4S/c1-21-7-5-6(19)3-4-8(7)23-10(9(20)22-2,11(13,14)15)12(16,17)18/h3-5,19H,1-2H3
InChIKey HCPAHPAKBJCBDF-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