For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-CHLORO-4-NITRO-5,5,5-TRIFLUOROPENTANOIC ACID, NITRILE (DIASTEREOMERMIXTURE)
SpectraBase Compound ID DRQQn5P9Zja
InChI InChI=1S/C5H4ClF3N2O2/c6-3(2-10)1-4(11(12)13)5(7,8)9/h3-4H,1H2
InChIKey BIHPUXDQFSUXQA-UHFFFAOYSA-N
Mol Weight 216.55 g/mol
Molecular Formula C5H4ClF3N2O2
Exact Mass 215.99134 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2YLTeCXOOJq
Name 2-CHLORO-4-NITRO-5,5,5-TRIFLUOROPENTANOIC ACID, NITRILE (DIASTEREOMERMIXTURE)
Comments `+` AXIS-LOW FIELD (DIRECT INDICATION IN THE PUBLICATION).
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C5H4ClF3N2O2
InChI InChI=1S/C5H4ClF3N2O2/c6-3(2-10)1-4(11(12)13)5(7,8)9/h3-4H,1H2
InChIKey BIHPUXDQFSUXQA-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