| SpectraBase Compound ID | 89c8RD62LrU |
|---|---|
| InChI | InChI=1S/C4H5BrCl2O/c5-2-1-3(6)4(7)8/h3H,1-2H2 |
| InChIKey | IWTJZLCQYFWZDY-UHFFFAOYSA-N |
| Mol Weight | 219.89 g/mol |
| Molecular Formula | C4H5BrCl2O |
| Exact Mass | 217.890083 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1NnZcPN6l2l |
|---|---|
| Name | 4-Bromo-2-chlorobutanoyl chloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.890083180 u |
| Formula | C4H5BrCl2O |
| InChI | InChI=1S/C4H5BrCl2O/c5-2-1-3(6)4(7)8/h3H,1-2H2 |
| InChIKey | IWTJZLCQYFWZDY-UHFFFAOYSA-N |
| Molecular Weight | 219.893 g/mol |
| SMILES | C(CCBr)(Cl)C(Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.810388 |