| SpectraBase Compound ID | 6TS5JBXdoWB |
|---|---|
| InChI | InChI=1S/C9H9N3/c1-2-4-8(5-3-1)6-9-10-7-11-12-9/h1-5,7H,6H2,(H,10,11,12) |
| InChIKey | VZEAUAKJULSHNO-UHFFFAOYSA-N |
| Mol Weight | 159.19 g/mol |
| Molecular Formula | C9H9N3 |
| Exact Mass | 159.079647 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ryBabCg6rG |
|---|---|
| Name | 3-Benzyl-1H-1,2,4-triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.079647302 u |
| Formula | C9H9N3 |
| InChI | InChI=1S/C9H9N3/c1-2-4-8(5-3-1)6-9-10-7-11-12-9/h1-5,7H,6H2,(H,10,11,12) |
| InChIKey | VZEAUAKJULSHNO-UHFFFAOYSA-N |
| Molecular Weight | 159.192 g/mol |
| SMILES | C1=CC=CC=C1CC=1N=CNN1 |