| SpectraBase Compound ID | 35ILTcFKZsr |
|---|---|
| InChI | InChI=1S/C8H7N5O/c14-7(6-2-1-3-9-4-6)12-8-10-5-11-13-8/h1-5H,(H2,10,11,12,13,14) |
| InChIKey | YHKDWERFTBCWAW-UHFFFAOYSA-N |
| Mol Weight | 189.18 g/mol |
| Molecular Formula | C8H7N5O |
| Exact Mass | 189.06506 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BbdukBAKVUa |
|---|---|
| Name | N-(4H-1,2,4-Triazol-3-yl)nicotinamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.065059864 u |
| Formula | C8H7N5O |
| InChI | InChI=1S/C8H7N5O/c14-7(6-2-1-3-9-4-6)12-8-10-5-11-13-8/h1-5H,(H2,10,11,12,13,14) |
| InChIKey | YHKDWERFTBCWAW-UHFFFAOYSA-N |
| SMILES | N(C(C1=CN=CC=C1)=O)C1=NN=CN1 |