2-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid
5926
Reference
2-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid Structure
Systematic / IUPAC Name: 2-(3,5-Dimethyl-1-phenylpyrazol-4-yl)-5-methoxybenzoic acid
ID: Reference5926
Other Names: Benzoic acid, 2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-5-methoxy-
Formula: C19H18N2O3
Spectral Data
2-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 117 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 11/8/2016 1:05:51 PM |
Identificators
| InChI | InChI=1S/C19H18N2O3/c1-12-18(13(2)21(20-12)14-7-5-4-6-8-14)16-10-9-15(24-3)11-17(16)19(22)23/h4-11H,1-3H3,(H,22,23) |
| InChI Key | OWZHVGHNPCAULX-UHFFFAOYSA-N |
| Canonical SMILES | CC1=C(C(=NN1C2=CC=CC=C2)C)C3=C(C=C(C=C3)OC)C(=O)O |
| CAS | |
| Splash | |
| Other Names | Benzoic acid, 2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-5-methoxy- |
In Other Databases
| ChEMBL | CHEMBL1489476 |
| ChemSpider | 2077064 |
| PubChem | 2798301 |