![Ethyl 2-[5-(pyridin-3-yl)-2H-1,2,4-triazol-3-yl]acetate](/api/spectrum/LIqFo7Bp3K7/structure.png?h=300&w=458 "Ethyl 2-[5-(pyridin-3-yl)-2H-1,2,4-triazol-3-yl]acetate")
| SpectraBase Compound ID | 64uhfdd5XeD |
|---|---|
| InChI | InChI=1S/C11H12N4O2/c1-2-17-10(16)6-9-13-11(15-14-9)8-4-3-5-12-7-8/h3-5,7H,2,6H2,1H3,(H,13,14,15) |
| InChIKey | JYEVIOYHVMLURW-UHFFFAOYSA-N |
| Mol Weight | 232.24 g/mol |
| Molecular Formula | C11H12N4O2 |
| Exact Mass | 232.096026 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LIqFo7Bp3K7 |
|---|---|
| Name | Ethyl 2-[5-(pyridin-3-yl)-2H-1,2,4-triazol-3-yl]acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.096025640 u |
| Formula | C11H12N4O2 |
| InChI | InChI=1S/C11H12N4O2/c1-2-17-10(16)6-9-13-11(15-14-9)8-4-3-5-12-7-8/h3-5,7H,2,6H2,1H3,(H,13,14,15) |
| InChIKey | JYEVIOYHVMLURW-UHFFFAOYSA-N |
| Molecular Weight | 232.243 g/mol |
| SMILES | CCOC(CC1=NC(=NN1)C=1C=NC=CC1)=O |