![N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxybenzamide](/api/spectrum/6fLnNmqWsDa/structure.png?h=300&w=458 "N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxybenzamide")
| SpectraBase Compound ID | 5fjozrI1vVV |
|---|---|
| InChI | InChI=1S/C14H17N3O2/c1-10-12(9-17(2)16-10)8-15-14(18)11-4-6-13(19-3)7-5-11/h4-7,9H,8H2,1-3H3,(H,15,18) |
| InChIKey | VGGZJJQVMNQAGI-UHFFFAOYSA-N |
| Mol Weight | 259.31 g/mol |
| Molecular Formula | C14H17N3O2 |
| Exact Mass | 259.132077 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6fLnNmqWsDa |
|---|---|
| Name | N-[(1,3-Dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxybenzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.132076797 u |
| Formula | C14H17N3O2 |
| InChI | InChI=1S/C14H17N3O2/c1-10-12(9-17(2)16-10)8-15-14(18)11-4-6-13(19-3)7-5-11/h4-7,9H,8H2,1-3H3,(H,15,18) |
| InChIKey | VGGZJJQVMNQAGI-UHFFFAOYSA-N |
| Molecular Weight | 259.309 g/mol |
| SMILES | N(C(C=1C=CC(=CC1)OC)=O)CC=1C(=NN(C1)C)C |