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2,4-BIS(1-TRIFLUOROMETHYL-2-CHLOROETHYLTHIO)-5-METHOXYPHENOL
SpectraBase Compound ID GMvLJ2CMUqB
InChI InChI=1S/C13H12Cl2F6O2S2/c1-23-7-2-6(22)8(24-10(4-14)12(16,17)18)3-9(7)25-11(5-15)13(19,20)21/h2-3,10-11,22H,4-5H2,1H3
InChIKey PQOUSYZCYCGQKJ-UHFFFAOYSA-N
Mol Weight 449.25 g/mol
Molecular Formula C13H12Cl2F6O2S2
Exact Mass 447.955996 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7BAbEdUTWQq
Name 2,4-BIS(1-TRIFLUOROMETHYL-2-CHLOROETHYLTHIO)-5-METHOXYPHENOL
Comments SCALE INVERTED;WP-200SY (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H12Cl2F6O2S2
InChI InChI=1S/C13H12Cl2F6O2S2/c1-23-7-2-6(22)8(24-10(4-14)12(16,17)18)3-9(7)25-11(5-15)13(19,20)21/h2-3,10-11,22H,4-5H2,1H3
InChIKey PQOUSYZCYCGQKJ-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference A.YU.SIZOV, A.F.KOLOMIETS, A.V.FOKIN (1990) Izv.Akad.Nauk SSSR(Russ. Lang.): N4,832-837.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2D3N acetonitrile-d