| SpectraBase Compound ID | ha8GDhhupY |
|---|---|
| InChI | InChI=1S/C8H6BrN3/c9-7-3-1-6(2-4-7)8-10-5-11-12-8/h1-5H,(H,10,11,12) |
| InChIKey | XJSPWQRTWATLKK-UHFFFAOYSA-N |
| Mol Weight | 224.06 g/mol |
| Molecular Formula | C8H6BrN3 |
| Exact Mass | 222.97451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6SlR8erjQL8 |
|---|---|
| Name | 3-(4-Bromophenyl)-1H-1,2,4-triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.974510205 u |
| Formula | C8H6BrN3 |
| InChI | InChI=1S/C8H6BrN3/c9-7-3-1-6(2-4-7)8-10-5-11-12-8/h1-5H,(H,10,11,12) |
| InChIKey | XJSPWQRTWATLKK-UHFFFAOYSA-N |
| Molecular Weight | 224.061 g/mol |
| SMILES | C1(=CC=C(C2=NNC=N2)C=C1)Br |