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

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5-cyano-1-(1-ethyl-1-methyl-butyl)pyrazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID 2SxaEpNloCE
InChI InChI=1S/C14H21N3O2/c1-5-8-14(4,6-2)17-12(9-15)11(10-16-17)13(18)19-7-3/h10H,5-8H2,1-4H3
InChIKey AGDYDYGKTVWCRU-UHFFFAOYSA-N
Mol Weight 263.34 g/mol
Molecular Formula C14H21N3O2
Exact Mass 263.163377 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4PEBcBvyfOb
Name 5-Cyano-1-(1-ethyl-1-methyl-butyl)-1H-pyrazole-4- carboxylic acid, ethyl ester
CAS Registry Number 127526-69-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H21N3O2
InChI InChI=1S/C14H21N3O2/c1-5-8-14(4,6-2)17-12(9-15)11(10-16-17)13(18)19-7-3/h10H,5-8H2,1-4H3
InChIKey AGDYDYGKTVWCRU-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