| SpectraBase Compound ID | DVVO7Hi0q4e |
|---|---|
| InChI | InChI=1S/C6H7BrO2/c1-4(7)5-2-3-9-6(5)8/h2,4H,3H2,1H3 |
| InChIKey | XAGAFOCLKUNYHT-UHFFFAOYSA-N |
| Mol Weight | 191.02 g/mol |
| Molecular Formula | C6H7BrO2 |
| Exact Mass | 189.962942 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8iEqERQHU8P |
|---|---|
| Name | 3-(1-Bromoethyl)-5H-furan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.962942463 u |
| Formula | C6H7BrO2 |
| InChI | InChI=1S/C6H7BrO2/c1-4(7)5-2-3-9-6(5)8/h2,4H,3H2,1H3 |
| InChIKey | XAGAFOCLKUNYHT-UHFFFAOYSA-N |
| Molecular Weight | 191.024 g/mol |
| SMILES | C=1(C(OCC1)=O)C(Br)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.894527 |