| SpectraBase Compound ID | 6zJNY6uWLGT |
|---|---|
| InChI | InChI=1S/C9H6ClN3O3/c10-5-8-11-9(12-16-8)6-2-1-3-7(4-6)13(14)15/h1-4H,5H2 |
| InChIKey | QJMVUDOJNDEBTE-UHFFFAOYSA-N |
| Mol Weight | 239.62 g/mol |
| Molecular Formula | C9H6ClN3O3 |
| Exact Mass | 239.009769 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BFWvVn4IEnm |
|---|---|
| Name | 5-(Chloromethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.009768762 u |
| Formula | C9H6ClN3O3 |
| InChI | InChI=1S/C9H6ClN3O3/c10-5-8-11-9(12-16-8)6-2-1-3-7(4-6)13(14)15/h1-4H,5H2 |
| InChIKey | QJMVUDOJNDEBTE-UHFFFAOYSA-N |
| Molecular Weight | 239.618 g/mol |
| SMILES | C(Cl)C1=NC(=NO1)C1=CC(=CC=C1)N(=O)=O |