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2-HYDROXY-2-TRIFLUOROMETHYL-3-CYANOBUT-3-ENOIC ACID, METHYL ESTER
SpectraBase Compound ID Ak9uHGJqWSN
InChI InChI=1S/C7H6F3NO3/c1-4(3-11)6(13,5(12)14-2)7(8,9)10/h13H,1H2,2H3
InChIKey PQPCNPVJJRBPKX-UHFFFAOYSA-N
Mol Weight 209.12 g/mol
Molecular Formula C7H6F3NO3
Exact Mass 209.029978 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BTw2EATs6gI
Name 2-HYDROXY-2-TRIFLUOROMETHYL-3-CYANOBUT-3-ENOIC ACID, METHYL ESTER
Comments MAY BE AC-200 (BRUKER). SCALE INVERTED.;WP-200SY (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H6F3NO3
InChI InChI=1S/C7H6F3NO3/c1-4(3-11)6(13,5(12)14-2)7(8,9)10/h13H,1H2,2H3
InChIKey PQPCNPVJJRBPKX-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference A.S.GOLUBEV, M.V.GALAKHOV, A.F.KOLOMIETS, A.V.FOKIN (1992) Izv.Akad.NaukSSSR(Russ. Lang.): N12, 2763-2767.
NMR Standard -CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6