| SpectraBase Compound ID | 5XhxylUpv97 |
|---|---|
| InChI | InChI=1S/C30H60O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30(31)32-29-27-25-10-8-6-4-2/h3-29H2,1-2H3 |
| InChIKey | MWSXIWIELAIOBE-UHFFFAOYSA-N |
| Mol Weight | 452.8 g/mol |
| Molecular Formula | C30H60O2 |
| Exact Mass | 452.459331 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4m3yLzZQo8M |
|---|---|
| Name | Docosanoic acid, N.-octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 452.459331170 u |
| Formula | C30H60O2 |
| InChI | InChI=1S/C30H60O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30(31)32-29-27-25-10-8-6-4-2/h3-29H2,1-2H3 |
| InChIKey | MWSXIWIELAIOBE-UHFFFAOYSA-N |
| Molecular Weight | 452.808 g/mol |
| SMILES | C(CCC(OCCCCCCCC)=O)CCCCCCCCCCCCCCCCCC |