| SpectraBase Compound ID | DKIzfuhfa0d |
|---|---|
| InChI | InChI=1S/C9H8N6O3/c10-8-12-9(14-13-8)11-7(16)5-1-3-6(4-2-5)15(17)18/h1-4H,(H4,10,11,12,13,14,16) |
| InChIKey | ONYOHIIFGAHZFG-UHFFFAOYSA-N |
| Mol Weight | 248.2 g/mol |
| Molecular Formula | C9H8N6O3 |
| Exact Mass | 248.065788 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1gONayNsda7 |
|---|---|
| Name | Benzamide, N-(5-amino-1H-1,2,4-triazol-3-yl)-4-nitro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.065788139 u |
| Formula | C9H8N6O3 |
| InChI | InChI=1S/C9H8N6O3/c10-8-12-9(14-13-8)11-7(16)5-1-3-6(4-2-5)15(17)18/h1-4H,(H4,10,11,12,13,14,16) |
| InChIKey | ONYOHIIFGAHZFG-UHFFFAOYSA-N |
| Molecular Weight | 248.202 g/mol |
| SMILES | C=1(N=C(NN1)N)NC(C=1C=CC(N(=O)=O)=CC1)=O |