| SpectraBase Compound ID | 9GNs4VkHpd0 |
|---|---|
| InChI | InChI=1S/C4H4BrClO/c1-3(7)4(5)2-6/h2H,1H3/b4-2+ |
| InChIKey | SCVXOSBZRDRCCV-DUXPYHPUSA-N |
| Mol Weight | 183.43 g/mol |
| Molecular Formula | C4H4BrClO |
| Exact Mass | 181.913405 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 38hr5BhnnYm |
|---|---|
| Name | E-3-Bromo-4-chloro-3-buten-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.913405448 u |
| Formula | C4H4BrClO |
| InChI | InChI=1S/C4H4BrClO/c1-3(7)4(5)2-6/h2H,1H3/b4-2+ |
| InChIKey | SCVXOSBZRDRCCV-DUXPYHPUSA-N |
| SMILES | CC(\C(=C/Cl)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.890738 |