![Ethanone, 1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-1H-1,2,3-triazol-4-yl]-](/api/spectrum/9VEYl4obKdO/structure.png?h=300&w=458 "Ethanone, 1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-1H-1,2,3-triazol-4-yl]-")
| SpectraBase Compound ID | jvnE1I0MSe |
|---|---|
| InChI | InChI=1S/C12H10N6O2/c1-7(19)9-10(8-5-3-2-4-6-8)18(17-14-9)12-11(13)15-20-16-12/h2-6H,1H3,(H2,13,15) |
| InChIKey | PTKXATNODFCVHC-UHFFFAOYSA-N |
| Mol Weight | 270.25 g/mol |
| Molecular Formula | C12H10N6O2 |
| Exact Mass | 270.086524 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9VEYl4obKdO |
|---|---|
| Name | Ethanone, 1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-1H-1,2,3-triazol-4-yl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.086523584 u |
| Formula | C12H10N6O2 |
| InChI | InChI=1S/C12H10N6O2/c1-7(19)9-10(8-5-3-2-4-6-8)18(17-14-9)12-11(13)15-20-16-12/h2-6H,1H3,(H2,13,15) |
| InChIKey | PTKXATNODFCVHC-UHFFFAOYSA-N |
| SMILES | C1(=NON=C1N)N1C(=C(C(C)=O)N=N1)C1=CC=CC=C1 |