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

*Links on SpectraBase are not permalinks.
3-Cyano-1-methyl-1H-pyrazole-4-carboxylic acid, E thyl ester
SpectraBase Compound ID AKSh5kr2sw2
InChI InChI=1S/C8H9N3O2/c1-3-13-8(12)6-5-11(2)10-7(6)4-9/h5H,3H2,1-2H3
InChIKey QKNYVMDCPWVHMB-UHFFFAOYSA-N
Mol Weight 179.18 g/mol
Molecular Formula C8H9N3O2
Exact Mass 179.069477 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C 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 3uFW5hY10LI
Name 3-Cyano-1-methyl-1H-pyrazole-4-carboxylic acid, E thyl ester
CAS Registry Number 33090-56-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H9N3O2
InChI InChI=1S/C8H9N3O2/c1-3-13-8(12)6-5-11(2)10-7(6)4-9/h5H,3H2,1-2H3
InChIKey QKNYVMDCPWVHMB-UHFFFAOYSA-N
Instrument Name Bruker WM-250
Literature Reference G.E. Babbitt, M.P. Lynch, J.R.Beck, Magn. Res. Chem. 28, 90 (1990).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3