| SpectraBase Compound ID | A0j6YJVJlEZ |
|---|---|
| InChI | InChI=1S/C5H8Br2O2/c1-9-5(8)4(7)2-3-6/h4H,2-3H2,1H3 |
| InChIKey | DQHIGEQXJBMKKY-UHFFFAOYSA-N |
| Mol Weight | 259.92 g/mol |
| Molecular Formula | C5H8Br2O2 |
| Exact Mass | 257.889105 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5Jk0V7qHB8c |
|---|---|
| Name | alpha,Gamma-dibrombuttersaeuremethylester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.889105496 u |
| Formula | C5H8Br2O2 |
| InChI | InChI=1S/C5H8Br2O2/c1-9-5(8)4(7)2-3-6/h4H,2-3H2,1H3 |
| InChIKey | DQHIGEQXJBMKKY-UHFFFAOYSA-N |
| Molecular Weight | 259.925 g/mol |
| SMILES | COC(=O)C(Br)CCBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.888401 |