| SpectraBase Compound ID | DZYdu2Jrj4y |
|---|---|
| InChI | InChI=1S/C15H12ClN3O/c1-11-17-19(14-9-7-12(16)8-10-14)15(20)18(11)13-5-3-2-4-6-13/h2-10H,1H3 |
| InChIKey | XEZOKSWAADUTFB-UHFFFAOYSA-N |
| Mol Weight | 285.73 g/mol |
| Molecular Formula | C15H12ClN3O |
| Exact Mass | 285.06689 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DeOK86WqbGP |
|---|---|
| Name | 2-(4-Chlorophenyl)-5-methyl-4-phenyl-1,2,4-triazol-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.066889717 u |
| Formula | C15H12ClN3O |
| InChI | InChI=1S/C15H12ClN3O/c1-11-17-19(14-9-7-12(16)8-10-14)15(20)18(11)13-5-3-2-4-6-13/h2-10H,1H3 |
| InChIKey | XEZOKSWAADUTFB-UHFFFAOYSA-N |
| Molecular Weight | 285.734 g/mol |
| SMILES | C1(N(C(C)=NN1C=1C=CC(=CC1)Cl)C=1C=CC=CC1)=O |