| SpectraBase Compound ID | 7zeLKb99ISe |
|---|---|
| InChI | InChI=1S/C15H30O/c1-5-9-13(10-6-2)15(16)14(11-7-3)12-8-4/h13-14H,5-12H2,1-4H3 |
| InChIKey | GJZWLQHUIPDMQY-UHFFFAOYSA-N |
| Mol Weight | 226.4 g/mol |
| Molecular Formula | C15H30O |
| Exact Mass | 226.229666 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IBaAAjcDxMB |
|---|---|
| Name | 4,6-Dipropyl-nonan-5-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.229665585 u |
| Formula | C15H30O |
| InChI | InChI=1S/C15H30O/c1-5-9-13(10-6-2)15(16)14(11-7-3)12-8-4/h13-14H,5-12H2,1-4H3 |
| InChIKey | GJZWLQHUIPDMQY-UHFFFAOYSA-N |
| Molecular Weight | 226.404 g/mol |
| SMILES | C(CC(C(C(CCC)CCC)=O)CCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967193 |