| SpectraBase Compound ID | 7AZe6beNQLl |
|---|---|
| InChI | InChI=1S/C22H42O2/c1-3-5-6-7-8-9-10-11-12-16-19-21(4-2)24-22(23)20-17-14-13-15-18-20/h20-21H,3-19H2,1-2H3 |
| InChIKey | TVKKOLPSILGHIT-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 | KpK6aLXzPYk |
|---|---|
| Name | Cyclohexanecarboxylic acid, 3-pentadecyl 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/c1-3-5-6-7-8-9-10-11-12-16-19-21(4-2)24-22(23)20-17-14-13-15-18-20/h20-21H,3-19H2,1-2H3 |
| InChIKey | TVKKOLPSILGHIT-UHFFFAOYSA-N |
| Molecular Weight | 338.576 g/mol |
| SMILES | CCC(OC(=O)C1CCCCC1)CCCCCCCCCCCC |