| SpectraBase Compound ID | FqEcQWMQRN0 |
|---|---|
| InChI | InChI=1S/C4H3BrO2/c5-3-1-2-7-4(3)6/h1H,2H2 |
| InChIKey | QSYHSDNIQZDYGF-UHFFFAOYSA-N |
| Mol Weight | 162.97 g/mol |
| Molecular Formula | C4H3BrO2 |
| Exact Mass | 161.931642 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KiXLX7V0fCm |
|---|---|
| Name | 3-Bromo-5H-furan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 161.931642335 u |
| Formula | C4H3BrO2 |
| InChI | InChI=1S/C4H3BrO2/c5-3-1-2-7-4(3)6/h1H,2H2 |
| InChIKey | QSYHSDNIQZDYGF-UHFFFAOYSA-N |
| Molecular Weight | 162.970 g/mol |
| SMILES | C1(=O)OCC=C1Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972951 |