| SpectraBase Compound ID | FlisU8UMZac |
|---|---|
| InChI | InChI=1S/C3H3BrCl4/c4-1-2(5)3(6,7)8/h2H,1H2 |
| InChIKey | UIFAEKQMBBDXIF-UHFFFAOYSA-N |
| Mol Weight | 260.8 g/mol |
| Molecular Formula | C3H3BrCl4 |
| Exact Mass | 257.817224 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 88eMqDiVDcS |
|---|---|
| Name | 1-Bromo-2,3,3,3-tetrachloropropane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.817223897 u |
| Formula | C3H3BrCl4 |
| InChI | InChI=1S/C3H3BrCl4/c4-1-2(5)3(6,7)8/h2H,1H2 |
| InChIKey | UIFAEKQMBBDXIF-UHFFFAOYSA-N |
| SMILES | C(C(Cl)CBr)(Cl)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914887 |