| SpectraBase Compound ID | 9w7rWEEfnrq |
|---|---|
| InChI | InChI=1S/C15H30O/c1-6-8-13(4)11-14(5)15(16)10-9-12(3)7-2/h12-14H,6-11H2,1-5H3 |
| InChIKey | HSOREMUXHWQWNK-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 | 62OGKbZEXfq |
|---|---|
| Name | 3,7,9-Trimethyl-6-dodecanone |
| 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/c1-6-8-13(4)11-14(5)15(16)10-9-12(3)7-2/h12-14H,6-11H2,1-5H3 |
| InChIKey | HSOREMUXHWQWNK-UHFFFAOYSA-N |
| Molecular Weight | 226.404 g/mol |
| SMILES | C(C(CC(CCC)C)C)(=O)CCC(CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970338 |