| SpectraBase Compound ID | EXw5aGOxTPU |
|---|---|
| InChI | InChI=1S/C8H15ClO/c1-8(10)6-4-2-3-5-7-9/h2-7H2,1H3 |
| InChIKey | CAYDCGNFWIEGCY-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 | LqeacNIWjkG |
|---|---|
| Name | 8-Chloro-2-octanone |
| 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/c1-8(10)6-4-2-3-5-7-9/h2-7H2,1H3 |
| InChIKey | CAYDCGNFWIEGCY-UHFFFAOYSA-N |
| Molecular Weight | 162.660 g/mol |
| SMILES | CC(CCCCCCCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975025 |