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5-cyano-1-cyclohexyl-pyrazole-4-carboxylic acid ethyl ester

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5-cyano-1-cyclohexyl-pyrazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID FX5xZpuZNpp
InChI InChI=1S/C13H17N3O2/c1-2-18-13(17)11-9-15-16(12(11)8-14)10-6-4-3-5-7-10/h9-10H,2-7H2,1H3
InChIKey NHIXSHKGERFBNN-UHFFFAOYSA-N
Mol Weight 247.3 g/mol
Molecular Formula C13H17N3O2
Exact Mass 247.132077 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7aDXIT2FaIU
Name 5-Cyano-1-cyclohexyl-1H-pyrazole-4-carboxylic ac id ethyl ester
CAS Registry Number 121909-89-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H17N3O2
InChI InChI=1S/C13H17N3O2/c1-2-18-13(17)11-9-15-16(12(11)8-14)10-6-4-3-5-7-10/h9-10H,2-7H2,1H3
InChIKey NHIXSHKGERFBNN-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