| SpectraBase Compound ID | 5UKKPlVuzLA |
|---|---|
| InChI | InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-22(23)24-21-18-15-14-16-19-21/h21H,2-20H2,1H3 |
| InChIKey | BMZOQYYROAVSAP-UHFFFAOYSA-N |
| Mol Weight | 338.6 g/mol |
| Molecular Formula | C22H42O2 |
| Exact Mass | 338.318481 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GHNGPH3Hc7Z |
|---|---|
| Name | Hexadecanoic acid, cyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.318480590 u |
| Formula | C22H42O2 |
| InChI | InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-22(23)24-21-18-15-14-16-19-21/h21H,2-20H2,1H3 |
| InChIKey | BMZOQYYROAVSAP-UHFFFAOYSA-N |
| Molecular Weight | 338.576 g/mol |
| SMILES | C1CCC(CC1)OC(=O)CCCCCCCCCCCCCCC |