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2,5-DIMETHYL-2-TRIFLUOROMETHYL-4-ACETYL-1,3-OXATHIOL-4-ENE
SpectraBase Compound ID 8ToJtPybiso
InChI InChI=1S/C8H9F3O2S/c1-4(12)6-5(2)13-7(3,14-6)8(9,10)11/h1-3H3
InChIKey QGHUSORSBBRTAR-UHFFFAOYSA-N
Mol Weight 226.21 g/mol
Molecular Formula C8H9F3O2S
Exact Mass 226.027535 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 650HXBeLZiI
Name 2,5-DIMETHYL-2-TRIFLUOROMETHYL-4-ACETYL-1,3-OXATHIOL-4-ENE
Comments C=10%. SCALE INVERTED;WP-200SY (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H9F3O2S
InChI InChI=1S/C8H9F3O2S/c1-4(12)6-5(2)13-7(3,14-6)8(9,10)11/h1-3H3
InChIKey QGHUSORSBBRTAR-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference A.YU.SIZOV, A.F.KOLOMIETS, A.V.FOKIN (1991) Izv.Akad.Nauk SSSR(Russ. Lang.): N3,676-681.
NMR Standard -CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d