![Ethyl 2-[3-(pyrazin-2-yl)-1H-1,2,4-triazol-5-yl]acetate](/api/spectrum/9Gt9Qrzlnrg/structure.png?h=300&w=458 "Ethyl 2-[3-(pyrazin-2-yl)-1H-1,2,4-triazol-5-yl]acetate")
| SpectraBase Compound ID | 8vJ8jg4vpf9 |
|---|---|
| InChI | InChI=1S/C10H11N5O2/c1-2-17-9(16)5-8-13-10(15-14-8)7-6-11-3-4-12-7/h3-4,6H,2,5H2,1H3,(H,13,14,15) |
| InChIKey | XHVPPOYMAZYQBU-UHFFFAOYSA-N |
| Mol Weight | 233.23 g/mol |
| Molecular Formula | C10H11N5O2 |
| Exact Mass | 233.091275 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Gt9Qrzlnrg |
|---|---|
| Name | Ethyl 2-[3-(pyrazin-2-yl)-1H-1,2,4-triazol-5-yl]acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.091274612 u |
| Formula | C10H11N5O2 |
| InChI | InChI=1S/C10H11N5O2/c1-2-17-9(16)5-8-13-10(15-14-8)7-6-11-3-4-12-7/h3-4,6H,2,5H2,1H3,(H,13,14,15) |
| InChIKey | XHVPPOYMAZYQBU-UHFFFAOYSA-N |
| SMILES | C1=NC(C2=NNC(=N2)CC(OCC)=O)=CN=C1 |