| SpectraBase Compound ID | FJyRcVI89Gg |
|---|---|
| InChI | InChI=1S/C6H3BrClNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H |
| InChIKey | CGTVUAQWGSZCFH-UHFFFAOYSA-N |
| Mol Weight | 236.45 g/mol |
| Molecular Formula | C6H3BrClNO2 |
| Exact Mass | 234.903569 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | F29wRmSFEIw |
|---|---|
| Name | 2-Bromo-1-chloro-4-nitrobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.903569039 u |
| Formula | C6H3BrClNO2 |
| InChI | InChI=1S/C6H3BrClNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H |
| InChIKey | CGTVUAQWGSZCFH-UHFFFAOYSA-N |
| Molecular Weight | 236.452 g/mol |
| SMILES | C=1C=C(C=C(Br)C1Cl)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.718301 |