![5-Methyl-1-(4-pyrrol-1-yl-furazan-3-yl)-1H- [1,2,3]triazole-4-carboxylic acid](/api/spectrum/1604IQLaDJO/structure.png?h=300&w=458 "5-Methyl-1-(4-pyrrol-1-yl-furazan-3-yl)-1H- [1,2,3]triazole-4-carboxylic acid")
| SpectraBase Compound ID | I8TqLDa9c5r |
|---|---|
| InChI | InChI=1S/C10H8N6O3/c1-6-7(10(17)18)11-14-16(6)9-8(12-19-13-9)15-4-2-3-5-15/h2-5H,1H3,(H,17,18) |
| InChIKey | MTUIRTLQHIEOIR-UHFFFAOYSA-N |
| Mol Weight | 260.21 g/mol |
| Molecular Formula | C10H8N6O3 |
| Exact Mass | 260.065788 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1604IQLaDJO |
|---|---|
| Name | 5-Methyl-1-(4-pyrrol-1-yl-furazan-3-yl)-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 | 260.065788139 u |
| Formula | C10H8N6O3 |
| InChI | InChI=1S/C10H8N6O3/c1-6-7(10(17)18)11-14-16(6)9-8(12-19-13-9)15-4-2-3-5-15/h2-5H,1H3,(H,17,18) |
| InChIKey | MTUIRTLQHIEOIR-UHFFFAOYSA-N |
| Molecular Weight | 260.213 g/mol |
| SMILES | C=1(N=NN(C1C)C1=NON=C1N1C=CC=C1)C(O)=O |