| SpectraBase Compound ID | 7et7yDVvwWe |
|---|---|
| InChI | InChI=1S/C29H58O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27-29(30)31-28-26-24-10-8-6-4-2/h3-28H2,1-2H3 |
| InChIKey | DCENXFIVZCYDGS-UHFFFAOYSA-N |
| Mol Weight | 438.8 g/mol |
| Molecular Formula | C29H58O2 |
| Exact Mass | 438.443681 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ARDHN08pPDS |
|---|---|
| Name | Heneicosanoic acid, N.-octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 438.443681106 u |
| Formula | C29H58O2 |
| InChI | InChI=1S/C29H58O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27-29(30)31-28-26-24-10-8-6-4-2/h3-28H2,1-2H3 |
| InChIKey | DCENXFIVZCYDGS-UHFFFAOYSA-N |
| Molecular Weight | 438.781 g/mol |
| SMILES | C(CCC(OCCCCCCCC)=O)CCCCCCCCCCCCCCCCC |