| SpectraBase Compound ID | HAwbeqe11qM |
|---|---|
| InChI | InChI=1S/C9H8ClN3/c1-6-4-2-3-5-7(6)8-11-9(10)13-12-8/h2-5H,1H3,(H,11,12,13) |
| InChIKey | MGKKFFQSTHXYFW-UHFFFAOYSA-N |
| Mol Weight | 193.64 g/mol |
| Molecular Formula | C9H8ClN3 |
| Exact Mass | 193.040675 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KrBljwFmrxB |
|---|---|
| Name | 3-Chloro-5-(2-methylphenyl)-1H-1,2,4-triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 193.040674970 u |
| Formula | C9H8ClN3 |
| InChI | InChI=1S/C9H8ClN3/c1-6-4-2-3-5-7(6)8-11-9(10)13-12-8/h2-5H,1H3,(H,11,12,13) |
| InChIKey | MGKKFFQSTHXYFW-UHFFFAOYSA-N |
| Molecular Weight | 193.637 g/mol |
| SMILES | C1(=C(C=CC=C1)C)C=1NN=C(N1)Cl |