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METHYL 2-TRIFLUOROMETHYL-3-METHYLPENTA-2,4-DIENOATE (ISOMER MIXTURE)
SpectraBase Compound ID JFi7xvY3hnZ
InChI InChI=1S/C8H9F3O2/c1-4-5(2)6(7(12)13-3)8(9,10)11/h4H,1H2,2-3H3/b6-5-
InChIKey IXVQFMWZISMZQD-WAYWQWQTSA-N
Mol Weight 194.15 g/mol
Molecular Formula C8H9F3O2
Exact Mass 194.055464 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bmm3dpv3rrM
Name METHYL 2-TRIFLUOROMETHYL-3-METHYLPENTA-2,4-DIENOATE (ISOMER MIXTURE)
Comments MAY BE AC-200 (BRUKER). S-CIS AND S-TRANS ISOMERS.;WP-200SY (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H9F3O2
InChI InChI=1S/C8H9F3O2/c1-4-5(2)6(7(12)13-3)8(9,10)11/h4H,1H2,2-3H3/b6-5-
InChIKey IXVQFMWZISMZQD-WAYWQWQTSA-N
Instrument Name SEE COMMENT
Literature Reference V.G.ANDREEV, A.F.KOLOMIETS, A.V.FOKIN (1992) Dokl.Akad.Nauk SSSR(Russ. Lang.):v.323, N3, 490-494.
NMR Standard -CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d