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

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3-cyano-1-(1,1-dimethylbutyl)pyrazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID 8Dajk7HBIdN
InChI InChI=1S/C13H19N3O2/c1-5-7-13(3,4)16-9-10(11(8-14)15-16)12(17)18-6-2/h9H,5-7H2,1-4H3
InChIKey OKDCLSCZWZKLGP-UHFFFAOYSA-N
Mol Weight 249.31 g/mol
Molecular Formula C13H19N3O2
Exact Mass 249.147727 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HQ9KXUWegED
Name 3-Cyano-1-(1,1-dimethyl-butyl)-1H-pyrazole-4-car boxylic acid, ethyl ester
CAS Registry Number 127526-74-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H19N3O2
InChI InChI=1S/C13H19N3O2/c1-5-7-13(3,4)16-9-10(11(8-14)15-16)12(17)18-6-2/h9H,5-7H2,1-4H3
InChIKey OKDCLSCZWZKLGP-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