| SpectraBase Compound ID | D2F4bwzWOhu |
|---|---|
| InChI | InChI=1S/C13H13N3O3/c1-16-7-10(6-15-16)13(17)14-5-9-2-3-11-12(4-9)19-8-18-11/h2-4,6-7H,5,8H2,1H3,(H,14,17) |
| InChIKey | OZOJFHCSJQNLEN-UHFFFAOYSA-N |
| Mol Weight | 259.26 g/mol |
| Molecular Formula | C13H13N3O3 |
| Exact Mass | 259.095691 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gjr76AEcG97 |
|---|---|
| Name | N-(1,3-Benzodioxol-5-ylmethyl)-1-methyl-1H-pyrazole-4-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.095691288 u |
| Formula | C13H13N3O3 |
| InChI | InChI=1S/C13H13N3O3/c1-16-7-10(6-15-16)13(17)14-5-9-2-3-11-12(4-9)19-8-18-11/h2-4,6-7H,5,8H2,1H3,(H,14,17) |
| InChIKey | OZOJFHCSJQNLEN-UHFFFAOYSA-N |
| Molecular Weight | 259.265 g/mol |
| SMILES | N(CC1=CC2=C(OCO2)C=C1)C(C1=CN(C)N=C1)=O |