| SpectraBase Compound ID | DSMSRPPHEYt |
|---|---|
| InChI | InChI=1S/C17H16N2O3/c1-22-13-8-6-12(7-9-13)16-10-15(18-19(16)11-20)14-4-2-3-5-17(14)21/h2-9,11,16,21H,10H2,1H3 |
| InChIKey | RHTITGVOEOXIQJ-UHFFFAOYSA-N |
| Mol Weight | 296.33 g/mol |
| Molecular Formula | C17H16N2O3 |
| Exact Mass | 296.116092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5urILKvOzTw |
|---|---|
| Name | 3-(2-Hydroxyphenyl)-5-(4-methoxyphenyl)-4,5-dihydropyrazole-1-carbaldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.116092380 u |
| Formula | C17H16N2O3 |
| InChI | InChI=1S/C17H16N2O3/c1-22-13-8-6-12(7-9-13)16-10-15(18-19(16)11-20)14-4-2-3-5-17(14)21/h2-9,11,16,21H,10H2,1H3 |
| InChIKey | RHTITGVOEOXIQJ-UHFFFAOYSA-N |
| SMILES | COC1=CC=C(C2CC(=NN2C=O)C2=C(C=CC=C2)O)C=C1 |