![1H-[1,2,3]Triazole-4-carboxylic acid, 1-(4-aminofurazan-3-yl)-5-methyl-, benzyl ester](/api/spectrum/BUfnkyHJTkQ/structure.png?h=300&w=458 "1H-[1,2,3]Triazole-4-carboxylic acid, 1-(4-aminofurazan-3-yl)-5-methyl-, benzyl ester")
| SpectraBase Compound ID | I60nf4cP3Sm |
|---|---|
| InChI | InChI=1S/C13H12N6O3/c1-8-10(13(20)21-7-9-5-3-2-4-6-9)15-18-19(8)12-11(14)16-22-17-12/h2-6H,7H2,1H3,(H2,14,16) |
| InChIKey | MYIYXJGHGYOALD-UHFFFAOYSA-N |
| Mol Weight | 300.28 g/mol |
| Molecular Formula | C13H12N6O3 |
| Exact Mass | 300.097088 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BUfnkyHJTkQ |
|---|---|
| Name | 1H-[1,2,3]Triazole-4-carboxylic acid, 1-(4-aminofurazan-3-yl)-5-methyl-, benzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.097088267 u |
| Formula | C13H12N6O3 |
| InChI | InChI=1S/C13H12N6O3/c1-8-10(13(20)21-7-9-5-3-2-4-6-9)15-18-19(8)12-11(14)16-22-17-12/h2-6H,7H2,1H3,(H2,14,16) |
| InChIKey | MYIYXJGHGYOALD-UHFFFAOYSA-N |
| SMILES | C1=CC=C(C=C1)COC(C1=C(N(C=2C(=NON2)N)N=N1)C)=O |