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3-Methyl-1H-pyrazole-4-carboxylic acid
SpectraBase Compound ID KjvQ3IQhm0h
InChI InChI=1S/C5H6N2O2/c1-3-4(5(8)9)2-6-7-3/h2H,1H3,(H,6,7)(H,8,9)
InChIKey HLYYXPDTFLUERX-UHFFFAOYSA-N
Mol Weight 126.11 g/mol
Molecular Formula C5H6N2O2
Exact Mass 126.042927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7NIj2DLLB22
Name 1H-Pyrazole-4-carboxylic acid, 3-methyl-
CAS Registry Number 40704-11-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H6N2O2
InChI InChI=1S/C5H6N2O2/c1-3-4(5(8)9)2-6-7-3/h2H,1H3,(H,6,7)(H,8,9)
InChIKey HLYYXPDTFLUERX-UHFFFAOYSA-N
Molecular Weight 126.115 g/mol
SMILES [nH]1ncc(C(O)=O)c1C
SPLASH splash10-0f89-9100000000-441d82e1c77c102ced82
Source of Spectrum TA-0-1194-0
Synonyms 3-Methyl-1H-pyrazole-4-carboxylic acid 5-Methyl-1H-pyrazole-4-carboxylic acid
Wiley ID 4707