| SpectraBase Compound ID | Kf5V1xUJel7 |
|---|---|
| InChI | InChI=1S/C4H5BrCl4/c5-3(2-6)1-4(7,8)9/h3H,1-2H2 |
| InChIKey | UFUAUOAEVWKIQK-UHFFFAOYSA-N |
| Mol Weight | 274.8 g/mol |
| Molecular Formula | C4H5BrCl4 |
| Exact Mass | 271.832874 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9SCk8KeYx1G |
|---|---|
| Name | 3-Bromo-1,1,1,4-tetrachlorobutane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.832873961 u |
| Formula | C4H5BrCl4 |
| InChI | InChI=1S/C4H5BrCl4/c5-3(2-6)1-4(7,8)9/h3H,1-2H2 |
| InChIKey | UFUAUOAEVWKIQK-UHFFFAOYSA-N |
| SMILES | C(CC(Br)CCl)(Cl)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958818 |