| SpectraBase Compound ID | 6odqnVjhERq |
|---|---|
| InChI | InChI=1S/C23H44O2/c1-3-5-6-7-8-9-10-11-12-16-20-22(17-4-2)25-23(24)21-18-14-13-15-19-21/h21-22H,3-20H2,1-2H3 |
| InChIKey | OCESPEIAGJQGBN-UHFFFAOYSA-N |
| Mol Weight | 352.6 g/mol |
| Molecular Formula | C23H44O2 |
| Exact Mass | 352.334131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Uu3WbT4OQI |
|---|---|
| Name | Cyclohexanecarboxylic acid, 4-hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.334130655 u |
| Formula | C23H44O2 |
| InChI | InChI=1S/C23H44O2/c1-3-5-6-7-8-9-10-11-12-16-20-22(17-4-2)25-23(24)21-18-14-13-15-19-21/h21-22H,3-20H2,1-2H3 |
| InChIKey | OCESPEIAGJQGBN-UHFFFAOYSA-N |
| Molecular Weight | 352.603 g/mol |
| SMILES | C(CCCCCCCC)CCCC(CCC)OC(=O)C1CCCCC1 |