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2-HYDROXY-2-TRIFLUOROMETHYL-3-ETHOXYCARBONYL-4-OXOPENTANOIC ACID,METHYL ESTER (ERYTHRO/THREO MIXTURE)
SpectraBase Compound ID 6n4ZB4o7SXk
InChI InChI=1S/C10H13F3O6/c1-4-19-7(15)6(5(2)14)9(17,8(16)18-3)10(11,12)13/h6,17H,4H2,1-3H3
InChIKey JWFMNWOUIRJVQX-UHFFFAOYSA-N
Mol Weight 286.2 g/mol
Molecular Formula C10H13F3O6
Exact Mass 286.066423 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3wvX5WuNlrH
Name 2-HYDROXY-2-TRIFLUOROMETHYL-3-ETHOXYCARBONYL-4-OXOPENTANOIC ACID,METHYL ESTER (ERYTHRO/THREO MIXTURE)
Comments ONLY KETO-FORM IS DETECTED. SCALE INVERTED;WP-200SY (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H13F3O6
InChI InChI=1S/C10H13F3O6/c1-4-19-7(15)6(5(2)14)9(17,8(16)18-3)10(11,12)13/h6,17H,4H2,1-3H3
InChIKey JWFMNWOUIRJVQX-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference A.S.GOLUBEV, M.V.GALAKHOV, A.F.KOLOMIETS, A.V.FOKIN (1989) Izv.Akad.NaukSSSR(Russ. Lang.): N9, 2127-2130.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2D6SO dimethylsulfo