| SpectraBase Compound ID | CfnXK41tKNP |
|---|---|
| InChI | InChI=1S/C8H15ClO/c1-2-3-5-8(10)6-4-7-9/h2-7H2,1H3 |
| InChIKey | MWWDIPJBSBDNEK-UHFFFAOYSA-N |
| Mol Weight | 162.66 g/mol |
| Molecular Formula | C8H15ClO |
| Exact Mass | 162.081143 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CC9OMRbI8Cr |
|---|---|
| Name | 1-Chloranyloctan-4-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.081142802 u |
| Formula | C8H15ClO |
| InChI | InChI=1S/C8H15ClO/c1-2-3-5-8(10)6-4-7-9/h2-7H2,1H3 |
| InChIKey | MWWDIPJBSBDNEK-UHFFFAOYSA-N |
| Molecular Weight | 162.660 g/mol |
| SMILES | C(Cl)CCC(CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96621 |