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4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid
SpectraBase Compound ID 2cMQunabWIq
InChI InChI=1S/C13H14N2O2/c1-9-7-10(2)15(14-9)8-11-3-5-12(6-4-11)13(16)17/h3-7H,8H2,1-2H3,(H,16,17)
InChIKey ORMOJZFLVSEQOR-UHFFFAOYSA-N
Mol Weight 230.27 g/mol
Molecular Formula C13H14N2O2
Exact Mass 230.105528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1QbABVd3Am
Name 4-[(3,5-Dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid
CAS Registry Number 312531-87-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O2
InChI InChI=1S/C13H14N2O2/c1-9-7-10(2)15(14-9)8-11-3-5-12(6-4-11)13(16)17/h3-7H,8H2,1-2H3,(H,16,17)
InChIKey ORMOJZFLVSEQOR-UHFFFAOYSA-N
Molecular Weight 230.267 g/mol
SMILES OC(c1ccc(C[n]2nc(C)cc2C)cc1)=O
SPLASH splash10-057s-9450000000-838e42e822fe72cbfdfd
Source of Spectrum AD-0-2532-0
Synonyms 4-[(3,5-dimethyl-1-pyrazolyl)methyl]benzoic acid 4-[(3,5-dimethyl-1H-pyrazol-2-ium-2-yl)methyl]benzoate 4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoic acid Benzoic acid, 4-(3,5-dimethyl-1-pyrazolyl)-
Wiley ID 1428178