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3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid

View entire compound with spectra: 1 MS (GC)

3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid
SpectraBase Compound ID 6ubGBnd4v2i
InChI InChI=1S/C12H12N2O2/c1-8-11(12(15)16)9(2)14(13-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,16)
InChIKey LPYTYYLNGJGJGW-UHFFFAOYSA-N
Mol Weight 216.24 g/mol
Molecular Formula C12H12N2O2
Exact Mass 216.089878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6TSTljrJr9O
Name 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid
CAS Registry Number 61226-19-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O2
InChI InChI=1S/C12H12N2O2/c1-8-11(12(15)16)9(2)14(13-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,16)
InChIKey LPYTYYLNGJGJGW-UHFFFAOYSA-N
Molecular Weight 216.240 g/mol
SMILES OC(c1c([n](nc1C)-c1ccccc1)C)=O
SPLASH splash10-014i-5790000000-4b7c1442e3ba9a1a2473
Synonyms 3,5-Dimethyl-1-phenyl-4-pyrazolecarboxylic acid 3,5-Dimethyl-1-phenyl-pyrazole-4-carboxylic acid
Wiley ID 1461306