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2-HYDROXY-2-TRIFLUOROMETHYL-3-BENZOYL-4-OXOPENTANOIC ACID, METHYLESTER (ERYTHRO/THREO MIXTURE)
SpectraBase Compound ID Jrc8iAMwq61
InChI InChI=1S/C14H13F3O5/c1-8(18)10(11(19)9-6-4-3-5-7-9)13(21,12(20)22-2)14(15,16)17/h3-7,10,21H,1-2H3
InChIKey BIBOYOWGNHKABE-UHFFFAOYSA-N
Mol Weight 318.25 g/mol
Molecular Formula C14H13F3O5
Exact Mass 318.071508 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B5KxIusgiCd
Name 2-HYDROXY-2-TRIFLUOROMETHYL-3-BENZOYL-4-OXOPENTANOIC ACID, METHYLESTER (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 C14H13F3O5
InChI InChI=1S/C14H13F3O5/c1-8(18)10(11(19)9-6-4-3-5-7-9)13(21,12(20)22-2)14(15,16)17/h3-7,10,21H,1-2H3
InChIKey BIBOYOWGNHKABE-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