| SpectraBase Compound ID | EqRJKqkXsKK |
|---|---|
| InChI | InChI=1S/C5H5BrO3/c1-5(8)3(6)2-4(7)9-5/h2,8H,1H3 |
| InChIKey | QJQXJNJYUVCHQF-UHFFFAOYSA-N |
| Mol Weight | 193.0 g/mol |
| Molecular Formula | C5H5BrO3 |
| Exact Mass | 191.942207 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LjnqDQG68bV |
|---|---|
| Name | 4-Bromo-5-hydroxy-5-methyl-2-(5H)-furanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.942207018 u |
| Formula | C5H5BrO3 |
| InChI | InChI=1S/C5H5BrO3/c1-5(8)3(6)2-4(7)9-5/h2,8H,1H3 |
| InChIKey | QJQXJNJYUVCHQF-UHFFFAOYSA-N |
| Molecular Weight | 192.996 g/mol |
| SMILES | C1(Br)=CC(=O)OC1(O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938996 |