| SpectraBase Compound ID | DepCVj8RtTo |
|---|---|
| InChI | InChI=1S/C4H5Br3/c1-2-3-4(5,6)7/h2H,1,3H2 |
| InChIKey | HGDJILUFENUKCD-UHFFFAOYSA-N |
| Mol Weight | 292.8 g/mol |
| Molecular Formula | C4H5Br3 |
| Exact Mass | 289.794139 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DnpVE6x0IoU |
|---|---|
| Name | 4,4,4-Tribromo-1-butene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.794139161 u |
| Formula | C4H5Br3 |
| InChI | InChI=1S/C4H5Br3/c1-2-3-4(5,6)7/h2H,1,3H2 |
| InChIKey | HGDJILUFENUKCD-UHFFFAOYSA-N |
| Molecular Weight | 292.796 g/mol |
| SMILES | C=CCC(Br)(Br)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.828305 |