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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

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DhrUO29Ce2C
Name 4-(2-METHOXYCARBONYL-1,1,1,3,3,3-HEXAFLUOROPROP-2-YLTHIO)-2-METHYLPHENOL
Comments SCALE INVERTED;WP-200SY (BRUKER)
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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
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 C2D3N acetonitrile-d