| SpectraBase Compound ID | KXx8M7gqEVw |
|---|---|
| InChI | InChI=1S/C15H26O/c1-3-4-8-13(2)11-12-15(16)14-9-6-5-7-10-14/h14H,2-12H2,1H3 |
| InChIKey | FMOGHLLMVYAXOT-UHFFFAOYSA-N |
| Mol Weight | 222.37 g/mol |
| Molecular Formula | C15H26O |
| Exact Mass | 222.198365 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DFCEeDa02PD |
|---|---|
| Name | 1-Octanone, 1-cyclohexyl-4-methylene- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.198365456 u |
| Formula | C15H26O |
| InChI | InChI=1S/C15H26O/c1-3-4-8-13(2)11-12-15(16)14-9-6-5-7-10-14/h14H,2-12H2,1H3 |
| InChIKey | FMOGHLLMVYAXOT-UHFFFAOYSA-N |
| Molecular Weight | 222.372 g/mol |
| SMILES | C(=O)(CCC(=C)CCCC)C1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950186 |