| SpectraBase Compound ID | 3gSx5LQYaBp |
|---|---|
| InChI | InChI=1S/C8H6ClN3O5/c9-4-8(13)10-6-2-1-5(11(14)15)3-7(6)12(16)17/h1-3H,4H2,(H,10,13) |
| InChIKey | BJYSEWOCLXWPLH-UHFFFAOYSA-N |
| Mol Weight | 259.6 g/mol |
| Molecular Formula | C8H6ClN3O5 |
| Exact Mass | 258.999598 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H1l34vtWNWo |
|---|---|
| Name | 2-Chloro-N-(2,4-dinitrophenyl)acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.999598000 u |
| Formula | C8H6ClN3O5 |
| InChI | InChI=1S/C8H6ClN3O5/c9-4-8(13)10-6-2-1-5(11(14)15)3-7(6)12(16)17/h1-3H,4H2,(H,10,13) |
| InChIKey | BJYSEWOCLXWPLH-UHFFFAOYSA-N |
| Molecular Weight | 259.605 g/mol |
| SMILES | C(Cl)C(=O)NC1=C(C=C(C=C1)N(=O)=O)N(=O)=O |