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(E)-4-keto-3-methyl-but-2-enoic acid 2,2,2-trifluoroethyl ester

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(E)-4-keto-3-methyl-but-2-enoic acid 2,2,2-trifluoroethyl ester
SpectraBase Compound ID 8JDaXj93ahH
InChI InChI=1S/C7H7F3O3/c1-5(3-11)2-6(12)13-4-7(8,9)10/h2-3H,4H2,1H3/b5-2+
InChIKey MNEKZAMCGOVTIF-GORDUTHDSA-N
Mol Weight 196.13 g/mol
Molecular Formula C7H7F3O3
Exact Mass 196.034729 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EaSLb0AKwyP
Name (E)-4-keto-3-methyl-but-2-enoic acid 2,2,2-trifluoroethyl ester
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H7F3O3
InChI InChI=1S/C7H7F3O3/c1-5(3-11)2-6(12)13-4-7(8,9)10/h2-3H,4H2,1H3/b5-2+
InChIKey MNEKZAMCGOVTIF-GORDUTHDSA-N
Literature Reference Author Q.Y.HU,G.ZHOU,E.J.COREY
Literature Reference Citation J.AM.CHEM.SOC.,126,13708(2004)
Literature Reference DOI 10.1021/ja046154m
Solvent CDCl3
Source File Reference UWLU36762