| SpectraBase Compound ID | HHAIFQ6YlIY |
|---|---|
| InChI | InChI=1S/C17H14N2O2/c1-12-15(17(20)21)16(13-8-4-2-5-9-13)19(18-12)14-10-6-3-7-11-14/h2-11H,1H3,(H,20,21) |
| InChIKey | ZHGSMGISRFOLHO-UHFFFAOYSA-N |
| Mol Weight | 278.31 g/mol |
| Molecular Formula | C17H14N2O2 |
| Exact Mass | 278.105528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9G1hMt30GYE |
|---|---|
| Name | 3-Methyl-1,5-diphenyl-1H-pyrazole-4-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.105527697 u |
| Formula | C17H14N2O2 |
| InChI | InChI=1S/C17H14N2O2/c1-12-15(17(20)21)16(13-8-4-2-5-9-13)19(18-12)14-10-6-3-7-11-14/h2-11H,1H3,(H,20,21) |
| InChIKey | ZHGSMGISRFOLHO-UHFFFAOYSA-N |
| SMILES | C=1(N(N=C(C1C(=O)O)C)C1=CC=CC=C1)C=1C=CC=CC1 |