| SpectraBase Compound ID | CR3NgNzS4jA |
|---|---|
| InChI | InChI=1S/C4H4Br2O2/c5-2-3(6)1-4(7)8/h1H,2H2,(H,7,8)/b3-1+ |
| InChIKey | ZKFVWMGEHUOCDI-HNQUOIGGSA-N |
| Mol Weight | 243.88 g/mol |
| Molecular Formula | C4H4Br2O2 |
| Exact Mass | 241.857805 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FmuWPJ4U6ao |
|---|---|
| Name | (E)-3,4-Dibromobut-2-enoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.857805367 u |
| Formula | C4H4Br2O2 |
| InChI | InChI=1S/C4H4Br2O2/c5-2-3(6)1-4(7)8/h1H,2H2,(H,7,8)/b3-1+ |
| InChIKey | ZKFVWMGEHUOCDI-HNQUOIGGSA-N |
| Molecular Weight | 243.882 g/mol |
| SMILES | C(\C=C/(Br)CBr)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.867333 |