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4,4,4-TRIFLUORO-3-HYDROXY-3-ETHYLTHIOBUTANOIC ACID, METHYL ESTER
SpectraBase Compound ID AGgPSILbwl0
InChI InChI=1S/C7H11F3O3S/c1-3-14-6(12,7(8,9)10)4-5(11)13-2/h12H,3-4H2,1-2H3
InChIKey UCUWCCFPKWWXCH-UHFFFAOYSA-N
Mol Weight 232.22 g/mol
Molecular Formula C7H11F3O3S
Exact Mass 232.0381 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EPSOP7skxhG
Name 4,4,4-TRIFLUORO-3-HYDROXY-3-ETHYLTHIOBUTANOIC ACID, METHYL ESTER
Comments C=1M
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H11F3O3S
InChI InChI=1S/C7H11F3O3S/c1-3-14-6(12,7(8,9)10)4-5(11)13-2/h12H,3-4H2,1-2H3
InChIKey UCUWCCFPKWWXCH-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference K.I.PASHKEVICH, A.N.FOMIN, V.I.SALOUTIN, D.V.BAZHENOV, YU.K.GRISHIN,YU.A.USTYNYUK (1985) Izv.Akad.Nauk SSSR(Russ. Lang.): N10, 2293-2298.
NMR Standard C6F6
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d