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4-NITRO-4-METHYL-5,5,5-TRIFLUOROPENTANOIC ACID, NITRILE
SpectraBase Compound ID ahlc50OZKa
InChI InChI=1S/C6H7F3N2O2/c1-5(11(12)13,3-2-4-10)6(7,8)9/h2-3H2,1H3
InChIKey VKUCFTATUDCRHA-UHFFFAOYSA-N
Mol Weight 196.13 g/mol
Molecular Formula C6H7F3N2O2
Exact Mass 196.045962 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8IJsEK9nKPO
Name 4-NITRO-4-METHYL-5,5,5-TRIFLUOROPENTANOIC ACID, NITRILE
Comments `+` AXIS-LOW FIELD (DIRECT INDICATION IN THE PUBLICATION).
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H7F3N2O2
InChI InChI=1S/C6H7F3N2O2/c1-5(11(12)13,3-2-4-10)6(7,8)9/h2-3H2,1H3
InChIKey VKUCFTATUDCRHA-UHFFFAOYSA-N
Instrument Name Bruker WP-80
Literature Reference B.BAASNER, A.MARHOLD, M.NEGELE (1990) J.Fluor.Chem.: v.46, N1, 161-172.
NMR Standard CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d