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3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxylic acid

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

3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
SpectraBase Compound ID 9wzEQgxMvqT
InChI InChI=1S/C12H12N2O2/c1-7-3-4-9(5-8(7)2)10-6-11(12(15)16)14-13-10/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKey KLZBOPQBGJBTRD-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 Dw15uibkkFi
Name 3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O2
InChI InChI=1S/C12H12N2O2/c1-7-3-4-9(5-8(7)2)10-6-11(12(15)16)14-13-10/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKey KLZBOPQBGJBTRD-UHFFFAOYSA-N
Molecular Weight 216.240 g/mol
SMILES [nH]1c(C(=O)O)cc(-c2cc(C)c(cc2)C)n1
SPLASH splash10-00kf-8920000000-4e8c1e4cba5e0180f734
Source of Spectrum IY-2-5149-5
Wiley ID 1659478