| SpectraBase Compound ID | 9geykgcq4In |
|---|---|
| InChI | InChI=1S/C5H4Br2O2/c6-2-3-1-4(7)5(8)9-3/h1,3H,2H2 |
| InChIKey | KFMWDCQXUYRKCG-UHFFFAOYSA-N |
| Mol Weight | 255.89 g/mol |
| Molecular Formula | C5H4Br2O2 |
| Exact Mass | 253.857805 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | gvioYeRjqV |
|---|---|
| Name | 2(5H)-Furanone, 3-bromo-5-(bromomethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.857805367 u |
| Formula | C5H4Br2O2 |
| InChI | InChI=1S/C5H4Br2O2/c6-2-3-1-4(7)5(8)9-3/h1,3H,2H2 |
| InChIKey | KFMWDCQXUYRKCG-UHFFFAOYSA-N |
| Molecular Weight | 255.893 g/mol |
| SMILES | C1(C(=CC(O1)CBr)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940076 |