![3-(3-Chlorophenyl)-5-[(4-nitrophenyl)methyl]-1,2,4-oxadiazole](/api/spectrum/KLHUJLJvOXQ/structure.png?h=300&w=458 "3-(3-Chlorophenyl)-5-[(4-nitrophenyl)methyl]-1,2,4-oxadiazole")
| SpectraBase Compound ID | LyfK1X3YsIg |
|---|---|
| InChI | InChI=1S/C15H10ClN3O3/c16-12-3-1-2-11(9-12)15-17-14(22-18-15)8-10-4-6-13(7-5-10)19(20)21/h1-7,9H,8H2 |
| InChIKey | UNLOLVGZQCYWOR-UHFFFAOYSA-N |
| Mol Weight | 315.72 g/mol |
| Molecular Formula | C15H10ClN3O3 |
| Exact Mass | 315.041069 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KLHUJLJvOXQ |
|---|---|
| Name | 3-(3-Chlorophenyl)-5-[(4-nitrophenyl)methyl]-1,2,4-oxadiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.041068891 u |
| Formula | C15H10ClN3O3 |
| InChI | InChI=1S/C15H10ClN3O3/c16-12-3-1-2-11(9-12)15-17-14(22-18-15)8-10-4-6-13(7-5-10)19(20)21/h1-7,9H,8H2 |
| InChIKey | UNLOLVGZQCYWOR-UHFFFAOYSA-N |
| Molecular Weight | 315.716 g/mol |
| SMILES | C1(=NOC(=N1)CC1=CC=C(C=C1)N(=O)=O)C1=CC=CC(=C1)Cl |