| SpectraBase Compound ID | HC944i7QEF4 |
|---|---|
| InChI | InChI=1S/C6H2Cl2N2O4/c7-3-1-4(9(11)12)6(8)5(2-3)10(13)14/h1-2H |
| InChIKey | AGGUKALRPKAKSM-UHFFFAOYSA-N |
| Mol Weight | 237.0 g/mol |
| Molecular Formula | C6H2Cl2N2O4 |
| Exact Mass | 235.939162 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 652zJXFySgM |
|---|---|
| Name | 2,5-Dichloro-1,3-dinitrobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.939161948 u |
| Formula | C6H2Cl2N2O4 |
| InChI | InChI=1S/C6H2Cl2N2O4/c7-3-1-4(9(11)12)6(8)5(2-3)10(13)14/h1-2H |
| InChIKey | AGGUKALRPKAKSM-UHFFFAOYSA-N |
| Molecular Weight | 236.998 g/mol |
| SMILES | N(=O)(=O)C1=CC(=CC(=C1Cl)N(=O)=O)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.992543 |