![1-[5-Hydroxy-1-(4-methoxybenzyl)-1H-pyrazol-4-yl]propan-1-one](/api/spectrum/6P6jORslfOr/structure.png?h=300&w=458 "1-[5-Hydroxy-1-(4-methoxybenzyl)-1H-pyrazol-4-yl]propan-1-one")
| SpectraBase Compound ID | IzGO4vjSDl1 |
|---|---|
| InChI | InChI=1S/C14H16N2O3/c1-3-13(17)12-8-15-16(14(12)18)9-10-4-6-11(19-2)7-5-10/h4-8,18H,3,9H2,1-2H3 |
| InChIKey | KCEILVYYOYUZOX-UHFFFAOYSA-N |
| Mol Weight | 260.29 g/mol |
| Molecular Formula | C14H16N2O3 |
| Exact Mass | 260.116092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6P6jORslfOr |
|---|---|
| Name | 1-[5-Hydroxy-1-(4-methoxybenzyl)-1H-pyrazol-4-yl]propan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.116092380 u |
| Formula | C14H16N2O3 |
| InChI | InChI=1S/C14H16N2O3/c1-3-13(17)12-8-15-16(14(12)18)9-10-4-6-11(19-2)7-5-10/h4-8,18H,3,9H2,1-2H3 |
| InChIKey | KCEILVYYOYUZOX-UHFFFAOYSA-N |
| Molecular Weight | 260.293 g/mol |
| SMILES | C(CC)(=O)C=1C=NN(C1O)CC=1C=CC(=CC1)OC |