| SpectraBase Compound ID | Bea7aVPA4Zq |
|---|---|
| InChI | InChI=1S/C14H8ClN3O3/c15-11-5-1-9(2-6-11)13-16-17-14(21-13)10-3-7-12(8-4-10)18(19)20/h1-8H |
| InChIKey | VUTODTOTRHJTAV-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 | 6mOO3zW3XvH |
|---|---|
| Name | 2-(4-Chlorophenyl)-5-(4-nitrophenyl)-1,3,4-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/c15-11-5-1-9(2-6-11)13-16-17-14(21-13)10-3-7-12(8-4-10)18(19)20/h1-8H |
| InChIKey | VUTODTOTRHJTAV-UHFFFAOYSA-N |
| SMILES | C1(=NN=C(O1)C1=CC=C(N(=O)=O)C=C1)C1=CC=C(Cl)C=C1 |