| SpectraBase Compound ID | Ce8rCTuGCvs |
|---|---|
| InChI | InChI=1S/C5H7Br2ClO/c1-2-3(6)4(9)5(7)8/h3,5H,2H2,1H3 |
| InChIKey | AEGIRIIASCDQMK-UHFFFAOYSA-N |
| Mol Weight | 278.37 g/mol |
| Molecular Formula | C5H7Br2ClO |
| Exact Mass | 275.855219 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Lt28fnNsB0L |
|---|---|
| Name | 1,3-Dibromo-1-chloropentan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.855218544 u |
| Formula | C5H7Br2ClO |
| InChI | InChI=1S/C5H7Br2ClO/c1-2-3(6)4(9)5(7)8/h3,5H,2H2,1H3 |
| InChIKey | AEGIRIIASCDQMK-UHFFFAOYSA-N |
| Molecular Weight | 278.371 g/mol |
| SMILES | C(C(C(CC)Br)=O)(Cl)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.852537 |