| SpectraBase Compound ID | C92SyKETeeT |
|---|---|
| InChI | InChI=1S/C6H11ClO/c1-5(7)3-4-6(2)8/h5H,3-4H2,1-2H3 |
| InChIKey | FITVUNRTODZJID-UHFFFAOYSA-N |
| Mol Weight | 134.61 g/mol |
| Molecular Formula | C6H11ClO |
| Exact Mass | 134.049843 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JP7BynABGxl |
|---|---|
| Name | 5-Chlorohexan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 134.049842673 u |
| Formula | C6H11ClO |
| InChI | InChI=1S/C6H11ClO/c1-5(7)3-4-6(2)8/h5H,3-4H2,1-2H3 |
| InChIKey | FITVUNRTODZJID-UHFFFAOYSA-N |
| SMILES | C(=O)(CCC(C)Cl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.887261 |