| SpectraBase Compound ID | 2FBZRwV4G7J |
|---|---|
| InChI | InChI=1S/C6H3BrI2O/c7-4-1-3(8)2-5(9)6(4)10/h1-2,10H |
| InChIKey | IKROEAQUBRUWTG-UHFFFAOYSA-N |
| Mol Weight | 424.8 g/mol |
| Molecular Formula | C6H3BrI2O |
| Exact Mass | 423.745668 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3Nnb2msg6Q0 |
|---|---|
| Name | 2-Bromo-4,6-diiodophenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 423.745667716 u |
| Formula | C6H3BrI2O |
| InChI | InChI=1S/C6H3BrI2O/c7-4-1-3(8)2-5(9)6(4)10/h1-2,10H |
| InChIKey | IKROEAQUBRUWTG-UHFFFAOYSA-N |
| Molecular Weight | 424.802 g/mol |
| SMILES | C=1(C=C(Br)C(=C(C1)I)O)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951595 |