| SpectraBase Compound ID | BgFt5ZnW5QC |
|---|---|
| InChI | InChI=1S/C8H7Br3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,8H,5H2 |
| InChIKey | WUVFQKQQTWRGAF-UHFFFAOYSA-N |
| Mol Weight | 342.86 g/mol |
| Molecular Formula | C8H7Br3 |
| Exact Mass | 339.809789 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CYlO1rCkMgf |
|---|---|
| Name | 1,1-Dibromo-2-(2'-bromophenyl)ethane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.809789225 u |
| Formula | C8H7Br3 |
| InChI | InChI=1S/C8H7Br3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,8H,5H2 |
| InChIKey | WUVFQKQQTWRGAF-UHFFFAOYSA-N |
| Molecular Weight | 342.856 g/mol |
| SMILES | C=1(CC(Br)Br)C(Br)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.834552 |