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5-Methylpyrazole-3-carboxylic acid

View entire compound with spectra: 9 NMR, 2 FTIR, and 1 MS (GC)

5-Methylpyrazole-3-carboxylic acid
SpectraBase Compound ID 2EC004fS5Zi
InChI InChI=1S/C5H6N2O2/c1-3-2-4(5(8)9)7-6-3/h2H,1H3,(H,6,7)(H,8,9)
InChIKey WSMQKESQZFQMFW-UHFFFAOYSA-N
Mol Weight 126.11 g/mol
Molecular Formula C5H6N2O2
Exact Mass 126.042927 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L6sDblcOLPy
Name 5-Methyl-3-pyrazolecarboxylic acid
CAS Registry Number 402-61-9
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C5H6N2O2
InChI InChI=1S/C5H6N2O2/c1-3-2-4(5(8)9)7-6-3/h2H,1H3,(H,6,7)(H,8,9)
InChIKey WSMQKESQZFQMFW-UHFFFAOYSA-N
Instrument Name Bruker WP-80
Literature Reference P. Cabildo, R.M. Claramunt, J. Elguero, Org. Magn. Resonance 22, 603 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6