| SpectraBase Compound ID | Dkrv4xzerLj |
|---|---|
| InChI | InChI=1S/C9H17ClO/c1-2-3-6-9(11)7-4-5-8-10/h2-8H2,1H3 |
| InChIKey | QEOLLYCOYYFTPH-UHFFFAOYSA-N |
| Mol Weight | 176.69 g/mol |
| Molecular Formula | C9H17ClO |
| Exact Mass | 176.096793 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EBxGd1R1G7V |
|---|---|
| Name | 1-Chloro-5-nonanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.096792866 u |
| Formula | C9H17ClO |
| InChI | InChI=1S/C9H17ClO/c1-2-3-6-9(11)7-4-5-8-10/h2-8H2,1H3 |
| InChIKey | QEOLLYCOYYFTPH-UHFFFAOYSA-N |
| Molecular Weight | 176.687 g/mol |
| SMILES | C(=O)(CCCCCl)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972238 |