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1-tert-amyl-3-cyano-pyrazole-4-carboxylic acid ethyl ester

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1-tert-amyl-3-cyano-pyrazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID AggFr5HH0Pe
InChI InChI=1S/C12H17N3O2/c1-5-12(3,4)15-8-9(10(7-13)14-15)11(16)17-6-2/h8H,5-6H2,1-4H3
InChIKey HLBYOUSKJKMSDV-UHFFFAOYSA-N
Mol Weight 235.29 g/mol
Molecular Formula C12H17N3O2
Exact Mass 235.132077 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3zryKZrfu6w
Name 3-Cyano-1-(1,1-dimethyl-propyl)-1H-pyrazole-4-car boxylic acid, ethyl ester
CAS Registry Number 121909-90-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H17N3O2
InChI InChI=1S/C12H17N3O2/c1-5-12(3,4)15-8-9(10(7-13)14-15)11(16)17-6-2/h8H,5-6H2,1-4H3
InChIKey HLBYOUSKJKMSDV-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