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benzoic acid, 3-(3,5-dimethyl-1H-pyrazol-1-yl)-
SpectraBase Compound ID 2fJEP6iDMe1
InChI InChI=1S/C12H12N2O2/c1-8-6-9(2)14(13-8)11-5-3-4-10(7-11)12(15)16/h3-7H,1-2H3,(H,15,16)
InChIKey YZVUPMIJNADPAB-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 7mYywVEVlNr
Name 3-(3,5-Dimethyl-1H-pyrazol-1-yl)benzoic acid
Alternate Name(s) 3-(3,5-dimethyl-1-pyrazolyl)benzoic acid 3-(3,5-dimethylpyrazol-1-yl)benzoic acid Benzoic acid, 3-(3,5-dimethyl-1-pyrazolyl)-
CAS Registry Number 312531-88-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O2
InChI InChI=1S/C12H12N2O2/c1-8-6-9(2)14(13-8)11-5-3-4-10(7-11)12(15)16/h3-7H,1-2H3,(H,15,16)
InChIKey YZVUPMIJNADPAB-UHFFFAOYSA-N
Molecular Weight 216.240 g/mol
SMILES OC(c1cc(-[n]2nc(C)cc2C)ccc1)=O
SPLASH splash10-014i-7690000000-14bc17df8fe22d4e536c
Source of Spectrum AD-0-2532-0
Wiley ID 1426778