| SpectraBase Compound ID | KSC4FpQNiNd |
|---|---|
| InChI | InChI=1S/C9H6ClN3O3/c10-5-8-11-9(12-16-8)6-1-3-7(4-2-6)13(14)15/h1-4H,5H2 |
| InChIKey | DKZJFBGPUIIFGW-UHFFFAOYSA-N |
| Mol Weight | 239.62 g/mol |
| Molecular Formula | C9H6ClN3O3 |
| Exact Mass | 239.009769 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JkXzr6etJ5a |
|---|---|
| Name | 5-(Chloromethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H6ClN3O3 |
| InChI | InChI=1S/C9H6ClN3O3/c10-5-8-11-9(12-16-8)6-1-3-7(4-2-6)13(14)15/h1-4H,5H2 |
| InChIKey | DKZJFBGPUIIFGW-UHFFFAOYSA-N |
| Molecular Weight | 239.618 g/mol |
| SMILES | c1(nc(on1)CCl)-c1ccc(N(=O)=O)cc1 |
| SPLASH | splash10-052r-2290000000-e5e1f48ded297b1e996d |
| Source of Spectrum | F2-48-301-3g |
| Wiley ID | 1706370 |