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3-OXO-4,4,4-TRIFLUOROBUTANOIC ACID, METHYL ESTER (KETONE)
SpectraBase Compound ID C3dlrcd8Gdm
InChI InChI=1S/C5H5F3O3/c1-11-4(10)2-3(9)5(6,7)8/h2H2,1H3
InChIKey LKMUBWWZTSZGGV-UHFFFAOYSA-N
Mol Weight 170.09 g/mol
Molecular Formula C5H5F3O3
Exact Mass 170.019079 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5WJxJ58U7a8
Name 4,4,4-TRIFLUORO-3-OXOBUTANOIC ACID, METHYL ESTER (KETO)
Comments C=1M
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Formula C5H5F3O3
InChI InChI=1S/C5H5F3O3/c1-11-4(10)2-3(9)5(6,7)8/h2H2,1H3
InChIKey LKMUBWWZTSZGGV-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference K.I.PASHKEVICH, A.N.FOMIN, V.I.SALOUTIN, D.V.BAZHENOV, YU.K.GRISHIN,YU.A.USTYNYUK (1985) Izv.Akad.Nauk SSSR(Russ. Lang.): N10, 2293-2298.
NMR Standard C6F6
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d