| SpectraBase Compound ID | 66UfBMgL4Op |
|---|---|
| InChI | InChI=1S/C28H56O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-25-27-30-28(29)26-24-22-20-10-8-6-4-2/h3-27H2,1-2H3 |
| InChIKey | ZKGRELFDBYFQAZ-UHFFFAOYSA-N |
| Mol Weight | 424.8 g/mol |
| Molecular Formula | C28H56O2 |
| Exact Mass | 424.428031 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I5GnjAWHwnG |
|---|---|
| Name | Decanoic acid, octadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 424.428031041 u |
| Formula | C28H56O2 |
| InChI | InChI=1S/C28H56O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-25-27-30-28(29)26-24-22-20-10-8-6-4-2/h3-27H2,1-2H3 |
| InChIKey | ZKGRELFDBYFQAZ-UHFFFAOYSA-N |
| Molecular Weight | 424.754 g/mol |
| SMILES | C(CCCCC(OCCCCCCCCCCCCCCCCCC)=O)CCCC |