| SpectraBase Compound ID | 31o6dD61icV |
|---|---|
| InChI | InChI=1S/C4H5BrCl2O2/c1-9-3(8)4(6,7)2-5/h2H2,1H3 |
| InChIKey | AUHZFXMFSGANDP-UHFFFAOYSA-N |
| Mol Weight | 235.89 g/mol |
| Molecular Formula | C4H5BrCl2O2 |
| Exact Mass | 233.884998 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CscozhjrjLl |
|---|---|
| Name | Methyl 3-bromo-2,2-dichloro-propanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.884997799 u |
| Formula | C4H5BrCl2O2 |
| InChI | InChI=1S/C4H5BrCl2O2/c1-9-3(8)4(6,7)2-5/h2H2,1H3 |
| InChIKey | AUHZFXMFSGANDP-UHFFFAOYSA-N |
| SMILES | C(C(Cl)(C(=O)OC)Cl)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973546 |