| SpectraBase Compound ID | C896sTSSITE |
|---|---|
| InChI | InChI=1S/C6H2Br2ClI/c7-4-1-3(9)2-5(8)6(4)10/h1-2H |
| InChIKey | WFVPWFNVEFAMRM-UHFFFAOYSA-N |
| Mol Weight | 396.25 g/mol |
| Molecular Formula | C6H2Br2ClI |
| Exact Mass | 393.725649 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HMGi0bI79kG |
|---|---|
| Name | 2,6-Dibromo-4-chloro-1-iodobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 393.725648764 u |
| Formula | C6H2Br2ClI |
| InChI | InChI=1S/C6H2Br2ClI/c7-4-1-3(9)2-5(8)6(4)10/h1-2H |
| InChIKey | WFVPWFNVEFAMRM-UHFFFAOYSA-N |
| Molecular Weight | 396.247 g/mol |
| SMILES | C=1(C(=CC(=CC1Br)Cl)Br)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.873591 |