| SpectraBase Compound ID | DTWG2zF3gFy |
|---|---|
| InChI | InChI=1S/C15H28O/c1-4-7-9-11-12-14(6-3)15(16)13-10-8-5-2/h10,13-14H,4-9,11-12H2,1-3H3/b13-10+ |
| InChIKey | AXQLANMOWATYMV-JLHYYAGUSA-N |
| Mol Weight | 224.39 g/mol |
| Molecular Formula | C15H28O |
| Exact Mass | 224.214016 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C8wBI8WEITU |
|---|---|
| Name | 7-Ethyl-4-tridecen-6-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.214015521 u |
| Formula | C15H28O |
| InChI | InChI=1S/C15H28O/c1-4-7-9-11-12-14(6-3)15(16)13-10-8-5-2/h10,13-14H,4-9,11-12H2,1-3H3/b13-10+ |
| InChIKey | AXQLANMOWATYMV-JLHYYAGUSA-N |
| Molecular Weight | 224.388 g/mol |
| SMILES | C(CCCCCC)(C(\C=C\CCC)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97083 |