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METHYL 2-TRIFLUOROMETHYL-4-BROMOPENTA-2,4-DIENOATE (ISOMER MIXTURE)
SpectraBase Compound ID Ixy1p9XADhr
InChI InChI=1S/C7H6BrF3O2/c1-4(8)3-5(6(12)13-2)7(9,10)11/h3H,1H2,2H3/b5-3-
InChIKey LFRUHHOGBJUIOH-HYXAFXHYSA-N
Mol Weight 259.02 g/mol
Molecular Formula C7H6BrF3O2
Exact Mass 257.950327 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 64iCz5DYVGO
Name METHYL 2-TRIFLUOROMETHYL-4-BROMOPENTA-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 C7H6BrF3O2
InChI InChI=1S/C7H6BrF3O2/c1-4(8)3-5(6(12)13-2)7(9,10)11/h3H,1H2,2H3/b5-3-
InChIKey LFRUHHOGBJUIOH-HYXAFXHYSA-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