| SpectraBase Compound ID | DquOCvRpTA8 |
|---|---|
| InChI | InChI=1S/C18H14N2O3/c21-16(13-7-3-1-4-8-13)11-17(22)15-12-19-20(18(15)23)14-9-5-2-6-10-14/h1-10,12,23H,11H2 |
| InChIKey | JJTVOHAIUIWBEN-UHFFFAOYSA-N |
| Mol Weight | 306.32 g/mol |
| Molecular Formula | C18H14N2O3 |
| Exact Mass | 306.100442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | P3krOvf4XY |
|---|---|
| Name | 1-(5-Hydroxy-1-phenyl-1H-pyrazol-4-yl)-3-phenylpropan-1,3-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.100442316 u |
| Formula | C18H14N2O3 |
| InChI | InChI=1S/C18H14N2O3/c21-16(13-7-3-1-4-8-13)11-17(22)15-12-19-20(18(15)23)14-9-5-2-6-10-14/h1-10,12,23H,11H2 |
| InChIKey | JJTVOHAIUIWBEN-UHFFFAOYSA-N |
| SMILES | C(CC(=O)C=1C=CC=CC1)(=O)C=1C=NN(C1O)C=1C=CC=CC1 |