![1-(4-Amino-furazan-3-yl)-5-phenyl-1H-[1,2,3]triazole-4-carboxylic acid](/api/spectrum/JOd9AROxDUh/structure.png?h=300&w=458 "1-(4-Amino-furazan-3-yl)-5-phenyl-1H-[1,2,3]triazole-4-carboxylic acid")
| SpectraBase Compound ID | IxkLdxrSs5t |
|---|---|
| InChI | InChI=1S/C11H8N6O3/c12-9-10(15-20-14-9)17-8(6-4-2-1-3-5-6)7(11(18)19)13-16-17/h1-5H,(H2,12,14)(H,18,19) |
| InChIKey | KHLKPBNYKKVIAM-UHFFFAOYSA-N |
| Mol Weight | 272.22 g/mol |
| Molecular Formula | C11H8N6O3 |
| Exact Mass | 272.065788 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JOd9AROxDUh |
|---|---|
| Name | 1-(4-Amino-furazan-3-yl)-5-phenyl-1H-[1,2,3]triazole-4-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.065788139 u |
| Formula | C11H8N6O3 |
| InChI | InChI=1S/C11H8N6O3/c12-9-10(15-20-14-9)17-8(6-4-2-1-3-5-6)7(11(18)19)13-16-17/h1-5H,(H2,12,14)(H,18,19) |
| InChIKey | KHLKPBNYKKVIAM-UHFFFAOYSA-N |
| SMILES | C1=CC=C(C=C1)C=1N(C=2C(=NON2)N)N=NC1C(=O)O |