| SpectraBase Compound ID | 1tOGaK9AHX6 |
|---|---|
| InChI | InChI=1S/C7H4BrCl2NO2/c8-3-4-5(9)1-2-6(7(4)10)11(12)13/h1-2H,3H2 |
| InChIKey | KAPYAGOYHCUEBB-UHFFFAOYSA-N |
| Mol Weight | 284.92 g/mol |
| Molecular Formula | C7H4BrCl2NO2 |
| Exact Mass | 282.880247 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 68EtdHPOHZH |
|---|---|
| Name | 2,6-Dichloro-3-nitrobenzyl bromide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.880246771 u |
| Formula | C7H4BrCl2NO2 |
| InChI | InChI=1S/C7H4BrCl2NO2/c8-3-4-5(9)1-2-6(7(4)10)11(12)13/h1-2H,3H2 |
| InChIKey | KAPYAGOYHCUEBB-UHFFFAOYSA-N |
| Molecular Weight | 284.924 g/mol |
| SMILES | C(Br)C1=C(C(=CC=C1Cl)N(=O)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.863171 |