| SpectraBase Compound ID | 5zJyngc9Kk8 |
|---|---|
| InChI | InChI=1S/C14H8ClN3O3/c15-11-5-1-10(2-6-11)14-16-13(17-21-14)9-3-7-12(8-4-9)18(19)20/h1-8H |
| InChIKey | QWQZIHBEVWXTEL-UHFFFAOYSA-N |
| Mol Weight | 301.69 g/mol |
| Molecular Formula | C14H8ClN3O3 |
| Exact Mass | 301.025419 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9BvEMl97wPE |
|---|---|
| Name | 5-(p-Chlorophenyl)-3-(p-nitrophenyl)-1,2,4-oxadiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.025418827 u |
| Formula | C14H8ClN3O3 |
| InChI | InChI=1S/C14H8ClN3O3/c15-11-5-1-10(2-6-11)14-16-13(17-21-14)9-3-7-12(8-4-9)18(19)20/h1-8H |
| InChIKey | QWQZIHBEVWXTEL-UHFFFAOYSA-N |
| Molecular Weight | 301.689 g/mol |
| SMILES | N(=O)(=O)C1=CC=C(C=C1)C=1N=C(ON1)C=1C=CC(=CC1)Cl |