![Pentanedioic acid bis[(1H-[1,2,4]triazol-3-yl)amide]](/api/spectrum/Bp4LlY2uLdi/structure.png?h=300&w=458 "Pentanedioic acid bis[(1H-[1,2,4]triazol-3-yl)amide]")
| SpectraBase Compound ID | 5YOQ8rAamgU |
|---|---|
| InChI | InChI=1S/C9H12N8O2/c18-6(14-8-10-4-12-16-8)2-1-3-7(19)15-9-11-5-13-17-9/h4-5H,1-3H2,(H2,10,12,14,16,18)(H2,11,13,15,17,19) |
| InChIKey | IADNWMQHKBHDIG-UHFFFAOYSA-N |
| Mol Weight | 264.25 g/mol |
| Molecular Formula | C9H12N8O2 |
| Exact Mass | 264.108322 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bp4LlY2uLdi |
|---|---|
| Name | Pentanedioic acid bis[(1H-[1,2,4]triazol-3-yl)amide] |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.108321656 u |
| Formula | C9H12N8O2 |
| InChI | InChI=1S/C9H12N8O2/c18-6(14-8-10-4-12-16-8)2-1-3-7(19)15-9-11-5-13-17-9/h4-5H,1-3H2,(H2,10,12,14,16,18)(H2,11,13,15,17,19) |
| InChIKey | IADNWMQHKBHDIG-UHFFFAOYSA-N |
| Molecular Weight | 264.249 g/mol |
| SMILES | C(CC(NC=1N=CNN1)=O)CC(NC=1N=CNN1)=O |