| SpectraBase Compound ID | L5IjHVYhwD1 |
|---|---|
| InChI | InChI=1S/C6H2Br2I2/c7-3-1-2-4(8)6(10)5(3)9/h1-2H |
| InChIKey | PUDWVBJTAVFUFB-UHFFFAOYSA-N |
| Mol Weight | 487.7 g/mol |
| Molecular Formula | C6H2Br2I2 |
| Exact Mass | 485.661266 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IA6TaAJoyHa |
|---|---|
| Name | 1,4-Dibromo-2,3-diiodobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 485.661266064 u |
| Formula | C6H2Br2I2 |
| InChI | InChI=1S/C6H2Br2I2/c7-3-1-2-4(8)6(10)5(3)9/h1-2H |
| InChIKey | PUDWVBJTAVFUFB-UHFFFAOYSA-N |
| Molecular Weight | 487.699 g/mol |
| SMILES | C=1(C(=C(C(=CC1)Br)I)I)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921704 |