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4-(2-METHOXYCARBONYL-1,1,1,3,3,3-HEXAFLUOROPROP-2-YLTHIO)-2,3-DIMETHYLPHENOL
SpectraBase Compound ID Fku3jamFtOj
InChI InChI=1S/C13H12F6O3S/c1-6-7(2)9(5-4-8(6)20)23-11(10(21)22-3,12(14,15)16)13(17,18)19/h4-5,20H,1-3H3
InChIKey DZJLENXKFORLHR-UHFFFAOYSA-N
Mol Weight 362.29 g/mol
Molecular Formula C13H12F6O3S
Exact Mass 362.041134 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BTSqotJiXPM
Name 4-(2-METHOXYCARBONYL-1,1,1,3,3,3-HEXAFLUOROPROP-2-YLTHIO)-2,3-DIMETHYLPHENOL
Comments SCALE INVERTED;WP-200SY (BRUKER)
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Formula C13H12F6O3S
InChI InChI=1S/C13H12F6O3S/c1-6-7(2)9(5-4-8(6)20)23-11(10(21)22-3,12(14,15)16)13(17,18)19/h4-5,20H,1-3H3
InChIKey DZJLENXKFORLHR-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