![N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]benzamide](/api/spectrum/GroIcD4tbYg/structure.png?h=300&w=458 "N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]benzamide")
| SpectraBase Compound ID | FjyoSmCailh |
|---|---|
| InChI | InChI=1S/C15H11ClN4O/c16-12-8-6-10(7-9-12)13-17-15(20-19-13)18-14(21)11-4-2-1-3-5-11/h1-9H,(H2,17,18,19,20,21) |
| InChIKey | NWQCMCFGHNCJGK-UHFFFAOYSA-N |
| Mol Weight | 298.73 g/mol |
| Molecular Formula | C15H11ClN4O |
| Exact Mass | 298.062139 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GroIcD4tbYg |
|---|---|
| Name | N-[5-(4-Chlorophenyl)-1H-1,2,4-triazol-3-yl]benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.062138689 u |
| Formula | C15H11ClN4O |
| InChI | InChI=1S/C15H11ClN4O/c16-12-8-6-10(7-9-12)13-17-15(20-19-13)18-14(21)11-4-2-1-3-5-11/h1-9H,(H2,17,18,19,20,21) |
| InChIKey | NWQCMCFGHNCJGK-UHFFFAOYSA-N |
| Molecular Weight | 298.733 g/mol |
| SMILES | N(C=1N=C(NN1)C1=CC=C(C=C1)Cl)C(=O)C=1C=CC=CC1 |