| SpectraBase Compound ID | 2Dhh75llaV7 |
|---|---|
| InChI | InChI=1S/C10H9N3O2/c1-15-10(14)9-6-8(12-13-9)7-2-4-11-5-3-7/h2-6H,1H3,(H,12,13) |
| InChIKey | AQRBKBKWRUXTGA-UHFFFAOYSA-N |
| Mol Weight | 203.2 g/mol |
| Molecular Formula | C10H9N3O2 |
| Exact Mass | 203.069477 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5psacdwlDQE |
|---|---|
| Name | 1H-Pyrazole-3-carboxylic acid, 5-(4-pyridinyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.069476540 u |
| Formula | C10H9N3O2 |
| InChI | InChI=1S/C10H9N3O2/c1-15-10(14)9-6-8(12-13-9)7-2-4-11-5-3-7/h2-6H,1H3,(H,12,13) |
| InChIKey | AQRBKBKWRUXTGA-UHFFFAOYSA-N |
| Molecular Weight | 203.201 g/mol |
| SMILES | C=1(NN=C(C1)C(=O)OC)C1=CC=NC=C1 |