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3-cyano-1-(1-methylcyclohexyl)pyrazole-4-carboxylic acid ethyl ester

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3-cyano-1-(1-methylcyclohexyl)pyrazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID Jx20s6BW365
InChI InChI=1S/C14H19N3O2/c1-3-19-13(18)11-10-17(16-12(11)9-15)14(2)7-5-4-6-8-14/h10H,3-8H2,1-2H3
InChIKey CRCYQDFXDWGISM-UHFFFAOYSA-N
Mol Weight 261.32 g/mol
Molecular Formula C14H19N3O2
Exact Mass 261.147727 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ki4sU52I36b
Name 3-Cyano-1-(1-methyl-1-cyclohexyl)-1H-pyrazole-4- carboxylic acid, ethyl ester
CAS Registry Number 127526-73-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H19N3O2
InChI InChI=1S/C14H19N3O2/c1-3-19-13(18)11-10-17(16-12(11)9-15)14(2)7-5-4-6-8-14/h10H,3-8H2,1-2H3
InChIKey CRCYQDFXDWGISM-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