| SpectraBase Compound ID | 6FJbaoQWc5q |
|---|---|
| InChI | InChI=1S/C12H7BrO2/c13-12-8-4-2-1-3-7(8)11(12)9(14)5-6-10(12)15/h1-6,11H |
| InChIKey | PBRUXBFVEGSBNK-UHFFFAOYSA-N |
| Mol Weight | 263.09 g/mol |
| Molecular Formula | C12H7BrO2 |
| Exact Mass | 261.962942 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JnEBtkwOKIU |
|---|---|
| Name | 4A-Bromo-4A,8B-dihydrobiphenylene-1,4-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.962942463 u |
| Formula | C12H7BrO2 |
| InChI | InChI=1S/C12H7BrO2/c13-12-8-4-2-1-3-7(8)11(12)9(14)5-6-10(12)15/h1-6,11H |
| InChIKey | PBRUXBFVEGSBNK-UHFFFAOYSA-N |
| SMILES | C1(C=CC(C2(C=3C=CC=CC3C12)Br)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969366 |