| SpectraBase Compound ID | GIej0zyG79g |
|---|---|
| InChI | InChI=1S/C16H17N3O4/c1-8-15(9(2)19(4)18-8)16(21)17-12-6-14-13(22-7-23-14)5-11(12)10(3)20/h5-6H,7H2,1-4H3,(H,17,21) |
| InChIKey | FKSWCGARWVEKFF-UHFFFAOYSA-N |
| Mol Weight | 315.33 g/mol |
| Molecular Formula | C16H17N3O4 |
| Exact Mass | 315.121906 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BI5C5A0PjBJ |
|---|---|
| Name | N-(6-Acetyl-1,3-benzodioxol-5-yl)-1,3,5-trimethyl-1H-pyrazole-4-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.121906035 u |
| Formula | C16H17N3O4 |
| InChI | InChI=1S/C16H17N3O4/c1-8-15(9(2)19(4)18-8)16(21)17-12-6-14-13(22-7-23-14)5-11(12)10(3)20/h5-6H,7H2,1-4H3,(H,17,21) |
| InChIKey | FKSWCGARWVEKFF-UHFFFAOYSA-N |
| SMILES | N(C=1C(=CC2=C(C1)OCO2)C(=O)C)C(C=1C(=NN(C1C)C)C)=O |