| SpectraBase Compound ID | 6NrOqiLYZVM |
|---|---|
| InChI | InChI=1S/C6H2Cl3NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H |
| InChIKey | AEBJDOTVYMITIA-UHFFFAOYSA-N |
| Mol Weight | 226.45 g/mol |
| Molecular Formula | C6H2Cl3NO2 |
| Exact Mass | 224.915111 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HcUFsqKWjll |
|---|---|
| Name | 2-Nitro-1,3,5-trichlorobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.915111406 u |
| Formula | C6H2Cl3NO2 |
| InChI | InChI=1S/C6H2Cl3NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H |
| InChIKey | AEBJDOTVYMITIA-UHFFFAOYSA-N |
| Molecular Weight | 226.446 g/mol |
| SMILES | N(=O)(=O)C=1C(=CC(=CC1Cl)Cl)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.7465 |