| SpectraBase Compound ID | GHoLV3VljGJ |
|---|---|
| InChI | InChI=1S/C6H10Cl2O/c1-6(7,8)4-2-3-5-9/h5H,2-4H2,1H3 |
| InChIKey | HRYAOODZAIZDHF-UHFFFAOYSA-N |
| Mol Weight | 169.05 g/mol |
| Molecular Formula | C6H10Cl2O |
| Exact Mass | 168.01087 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ewy31lLJKNd |
|---|---|
| Name | 5,5-Dichlorohexanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.010870341 u |
| Formula | C6H10Cl2O |
| InChI | InChI=1S/C6H10Cl2O/c1-6(7,8)4-2-3-5-9/h5H,2-4H2,1H3 |
| InChIKey | HRYAOODZAIZDHF-UHFFFAOYSA-N |
| SMILES | C(Cl)(C)(Cl)CCCC=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957447 |