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5-cyano-1-(1-methylcyclopentyl)pyrazole-4-carboxylic acid ethyl ester

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5-cyano-1-(1-methylcyclopentyl)pyrazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID 7JaXbRdVZVl
InChI InChI=1S/C13H17N3O2/c1-3-18-12(17)10-9-15-16(11(10)8-14)13(2)6-4-5-7-13/h9H,3-7H2,1-2H3
InChIKey QVOFXVKSCOYYJE-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 347OCEMBdfb
Name 5-Cyano-1-(1-methyl-1-cyclopentyl)-1H-pyrazole-4 -carboxylic acid, ethyl ester
CAS Registry Number 119741-58-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H17N3O2
InChI InChI=1S/C13H17N3O2/c1-3-18-12(17)10-9-15-16(11(10)8-14)13(2)6-4-5-7-13/h9H,3-7H2,1-2H3
InChIKey QVOFXVKSCOYYJE-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