| SpectraBase Compound ID | KVZNMvyyul5 |
|---|---|
| InChI | InChI=1S/C6H3BrClNO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H |
| InChIKey | CVXDZAQINLBEIC-UHFFFAOYSA-N |
| Mol Weight | 236.45 g/mol |
| Molecular Formula | C6H3BrClNO2 |
| Exact Mass | 234.903569 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | l5rVngS2vH |
|---|---|
| Name | 1-Bromo-3-chloro-5-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/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H |
| InChIKey | CVXDZAQINLBEIC-UHFFFAOYSA-N |
| Molecular Weight | 236.452 g/mol |
| SMILES | C1(=CC(=CC(=C1)N(=O)=O)Cl)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954421 |