| SpectraBase Compound ID | 9qjHwIgdqdG |
|---|---|
| InChI | InChI=1S/C13H13N3O3/c1-3-19-13(18)10-8(2)15-16-11(10)12(17)9-4-6-14-7-5-9/h4-7H,3H2,1-2H3,(H,15,16) |
| InChIKey | HZLYWNCAVJECGZ-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 | 69Gg0hFqa1A |
|---|---|
| Name | Ethyl 3-isonicotinoyl-5-methyl-1H-pyrazole-4-carboxylate |
| 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/c1-3-19-13(18)10-8(2)15-16-11(10)12(17)9-4-6-14-7-5-9/h4-7H,3H2,1-2H3,(H,15,16) |
| InChIKey | HZLYWNCAVJECGZ-UHFFFAOYSA-N |
| Molecular Weight | 259.265 g/mol |
| SMILES | N1C(=C(C(=N1)C(=O)C1=CC=NC=C1)C(=O)OCC)C |