| SpectraBase Compound ID | IYOBaIXsV0G |
|---|---|
| InChI | InChI=1S/C8H8Br2O/c1-8(2)3-5(9)7(11)6(10)4-8/h3-4H,1-2H3 |
| InChIKey | SGRJJIXKAGEFSZ-UHFFFAOYSA-N |
| Mol Weight | 279.96 g/mol |
| Molecular Formula | C8H8Br2O |
| Exact Mass | 277.894191 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BTYR7TbotIU |
|---|---|
| Name | 2,5-Cyclohexadien-1-one, 2,6-dibromo-4,4-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.894190877 u |
| Formula | C8H8Br2O |
| InChI | InChI=1S/C8H8Br2O/c1-8(2)3-5(9)7(11)6(10)4-8/h3-4H,1-2H3 |
| InChIKey | SGRJJIXKAGEFSZ-UHFFFAOYSA-N |
| SMILES | C1(C=C(C(C(=C1)Br)=O)Br)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.909322 |