| SpectraBase Compound ID | 6kReSfdF3oO |
|---|---|
| InChI | InChI=1S/C6H8Cl2O/c1-5(9)3-2-4-6(7)8/h4H,2-3H2,1H3 |
| InChIKey | KKWKHIIUKBXNEU-UHFFFAOYSA-N |
| Mol Weight | 167.03 g/mol |
| Molecular Formula | C6H8Cl2O |
| Exact Mass | 165.99522 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6VKK7RS4Lzi |
|---|---|
| Name | 6,6-Dichloro-5-hexen-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 165.995220277 u |
| Formula | C6H8Cl2O |
| InChI | InChI=1S/C6H8Cl2O/c1-5(9)3-2-4-6(7)8/h4H,2-3H2,1H3 |
| InChIKey | KKWKHIIUKBXNEU-UHFFFAOYSA-N |
| Molecular Weight | 167.035 g/mol |
| SMILES | C(=CCCC(=O)C)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982325 |