| SpectraBase Compound ID | 5pfB8BVWkYj |
|---|---|
| InChI | InChI=1S/C10H7BrO2/c11-9-6-8(10(12)13-9)7-4-2-1-3-5-7/h1-6,9H |
| InChIKey | YEIFYJDEOWRUSA-UHFFFAOYSA-N |
| Mol Weight | 239.07 g/mol |
| Molecular Formula | C10H7BrO2 |
| Exact Mass | 237.962942 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Gox1SAs46F2 |
|---|---|
| Name | 2(5H)-Furanone, 5-bromo-3-phenyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.962942463 u |
| Formula | C10H7BrO2 |
| InChI | InChI=1S/C10H7BrO2/c11-9-6-8(10(12)13-9)7-4-2-1-3-5-7/h1-6,9H |
| InChIKey | YEIFYJDEOWRUSA-UHFFFAOYSA-N |
| Molecular Weight | 239.068 g/mol |
| SMILES | C1(C(=CC(O1)Br)C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959089 |