| SpectraBase Compound ID | AdkvvsAjYxw |
|---|---|
| InChI | InChI=1S/C4H5Br/c1-2-3-4-5/h2-4H,1H2/b4-3+ |
| InChIKey | LKNKAEWGISYACD-ONEGZZNKSA-N |
| Mol Weight | 132.99 g/mol |
| Molecular Formula | C4H5Br |
| Exact Mass | 131.957463 g/mol |
| SpectraBase Spectrum ID | CcZIB7RQGtk |
|---|---|
| Name | 1,3-Butadiene, 1-bromo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 131.957463161 u |
| Formula | C4H5Br |
| InChI | InChI=1S/C4H5Br/c1-2-3-4-5/h2-4H,1H2/b4-3+ |
| InChIKey | LKNKAEWGISYACD-ONEGZZNKSA-N |
| SMILES | C=C\C=C\Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.847775 |