![Ethyl 5-[2-pyridyl]pyrazole-3-carboxylate](/api/spectrum/9JtSh1Et9NZ/structure.png?h=300&w=458 "Ethyl 5-[2-pyridyl]pyrazole-3-carboxylate")
| SpectraBase Compound ID | IsHrRa4SSLA |
|---|---|
| InChI | InChI=1S/C11H11N3O2/c1-2-16-11(15)10-7-9(13-14-10)8-5-3-4-6-12-8/h3-7H,2H2,1H3,(H,13,14) |
| InChIKey | UDPAIBGYGUIPAP-UHFFFAOYSA-N |
| Mol Weight | 217.23 g/mol |
| Molecular Formula | C11H11N3O2 |
| Exact Mass | 217.085127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9JtSh1Et9NZ |
|---|---|
| Name | Ethyl 5-[2-pyridyl]pyrazole-3-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.085126604 u |
| Formula | C11H11N3O2 |
| InChI | InChI=1S/C11H11N3O2/c1-2-16-11(15)10-7-9(13-14-10)8-5-3-4-6-12-8/h3-7H,2H2,1H3,(H,13,14) |
| InChIKey | UDPAIBGYGUIPAP-UHFFFAOYSA-N |
| Molecular Weight | 217.228 g/mol |
| SMILES | C1(=CC=CC=N1)C1=NNC(=C1)C(OCC)=O |