| SpectraBase Compound ID | DOTOh7dUCq9 |
|---|---|
| InChI | InChI=1S/C8H6ClN3/c9-7-3-1-2-6(4-7)8-10-5-11-12-8/h1-5H,(H,10,11,12) |
| InChIKey | RCYNSIUZTQULBK-UHFFFAOYSA-N |
| Mol Weight | 179.61 g/mol |
| Molecular Formula | C8H6ClN3 |
| Exact Mass | 179.025025 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2B79JcS15TZ |
|---|---|
| Name | 3-(3-Chlorophenyl)-1H-1,2,4-triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.025024905 u |
| Formula | C8H6ClN3 |
| InChI | InChI=1S/C8H6ClN3/c9-7-3-1-2-6(4-7)8-10-5-11-12-8/h1-5H,(H,10,11,12) |
| InChIKey | RCYNSIUZTQULBK-UHFFFAOYSA-N |
| Molecular Weight | 179.610 g/mol |
| SMILES | C=1(N=CNN1)C1=CC=CC(=C1)Cl |