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(1-TRIFLUOROMETHYL-2-CHLOROETHYLTHIO)ACETIC ACID
SpectraBase Compound ID AZwDYSon0gr
InChI InChI=1S/C5H6ClF3O2S/c6-1-3(5(7,8)9)12-2-4(10)11/h3H,1-2H2,(H,10,11)
InChIKey WQHQYVASDJWDCY-UHFFFAOYSA-N
Mol Weight 222.61 g/mol
Molecular Formula C5H6ClF3O2S
Exact Mass 221.972913 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FLg1MWzfNAn
Name (1-TRIFLUOROMETHYL-2-CHLOROETHYLTHIO)ACETIC ACID
Comments SCALE INVERTED;R-20A (PERKIN-ELMER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C5H6ClF3O2S
InChI InChI=1S/C5H6ClF3O2S/c6-1-3(5(7,8)9)12-2-4(10)11/h3H,1-2H2,(H,10,11)
InChIKey WQHQYVASDJWDCY-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference N.V.KONDRASHEV, G.A.SOKOL'SKY, A.F.KOLOMIETS, A.V.FOKIN (1987) Izv.Akad.NaukSSSR(Russ. Lang.): N10, 2358-2360.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported