| SpectraBase Compound ID | Emar9UhykRU |
|---|---|
| InChI | InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-3H |
| InChIKey | FZANYOHKIPVTGC-UHFFFAOYSA-N |
| Mol Weight | 330.8 g/mol |
| Molecular Formula | C6H3Br3O |
| Exact Mass | 327.773404 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ctt652nG7Rm |
|---|---|
| Name | 2,4,6-Tribromo-2,5-cyclohexadienone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.773403716 u |
| Formula | C6H3Br3O |
| InChI | InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-3H |
| InChIKey | FZANYOHKIPVTGC-UHFFFAOYSA-N |
| Molecular Weight | 330.801 g/mol |
| SMILES | C=1(C(C(=CC(C1)Br)Br)=O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953125 |