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2-CHLORO-4,4,4-TRIFLUORO-3-ETHYLTHIO-3-HYDROXYBUTANOIC ACID, METHYLESTER (DIASTEREOMER MIXTURE)
SpectraBase Compound ID BE8hwrkYTGM
InChI InChI=1S/C7H10ClF3O3S/c1-3-15-6(13,7(9,10)11)4(8)5(12)14-2/h4,13H,3H2,1-2H3
InChIKey KVHUQKXXFXBVLG-UHFFFAOYSA-N
Mol Weight 266.66 g/mol
Molecular Formula C7H10ClF3O3S
Exact Mass 265.999128 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 47UQjTFpK7I
Name 2-CHLORO-4,4,4-TRIFLUORO-3-ETHYLTHIO-3-HYDROXYBUTANOIC ACID, METHYLESTER (DIASTEREOMER MIXTURE)
Comments C=1M
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H10ClF3O3S
InChI InChI=1S/C7H10ClF3O3S/c1-3-15-6(13,7(9,10)11)4(8)5(12)14-2/h4,13H,3H2,1-2H3
InChIKey KVHUQKXXFXBVLG-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference Z.E.SKRYABINA, V.I.SALOUTIN, K.I.PASHKEVICH, D.V.BAZHENOV, YU.K.GRISHIN,YU.A.USTYNYUK (1986) Izv.Akad.Nauk SSSR(Russ. Lang.): N9, 2046-2052.
NMR Standard C6F6
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d