| SpectraBase Compound ID | 48aQvetbbPy |
|---|---|
| InChI | InChI=1S/C7H4Br2O/c8-5-3-1-2-4-6(9)7(5)10/h1-4H |
| InChIKey | JJYARWBTLIGSMO-UHFFFAOYSA-N |
| Mol Weight | 263.92 g/mol |
| Molecular Formula | C7H4Br2O |
| Exact Mass | 261.862891 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EGWGjgynrJo |
|---|---|
| Name | 2,7-Dibromo-2,4,6-cycloheptatrien-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.862890748 u |
| Formula | C7H4Br2O |
| InChI | InChI=1S/C7H4Br2O/c8-5-3-1-2-4-6(9)7(5)10/h1-4H |
| InChIKey | JJYARWBTLIGSMO-UHFFFAOYSA-N |
| SMILES | C1=CC=C(Br)C(C(=C1)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.845664 |