![Ethanone, 1-[1-(4-methoxybenzoyl)-3,5-dimethyl-1H-pyrazol-4-yl]-](/api/spectrum/4scFnF3ySBZ/structure.png?h=300&w=458 "Ethanone, 1-[1-(4-methoxybenzoyl)-3,5-dimethyl-1H-pyrazol-4-yl]-")
| SpectraBase Compound ID | 1P2RZ0uVYmQ |
|---|---|
| InChI | InChI=1S/C15H16N2O3/c1-9-14(11(3)18)10(2)17(16-9)15(19)12-5-7-13(20-4)8-6-12/h5-8H,1-4H3 |
| InChIKey | MEOVNNHCLBXDOT-UHFFFAOYSA-N |
| Mol Weight | 272.3 g/mol |
| Molecular Formula | C15H16N2O3 |
| Exact Mass | 272.116092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4scFnF3ySBZ |
|---|---|
| Name | Ethanone, 1-[1-(4-methoxybenzoyl)-3,5-dimethyl-1H-pyrazol-4-yl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.116092380 u |
| Formula | C15H16N2O3 |
| InChI | InChI=1S/C15H16N2O3/c1-9-14(11(3)18)10(2)17(16-9)15(19)12-5-7-13(20-4)8-6-12/h5-8H,1-4H3 |
| InChIKey | MEOVNNHCLBXDOT-UHFFFAOYSA-N |
| SMILES | COC1=CC=C(C(N2C(C)=C(C(C)=O)C(=N2)C)=O)C=C1 |