| SpectraBase Compound ID | KKf3ky3YxIY |
|---|---|
| InChI | InChI=1S/C24H48O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)20-21-23(3)24(25)26-4/h22-23H,5-21H2,1-4H3 |
| InChIKey | ILXLVLNZPNSAMT-UHFFFAOYSA-N |
| Mol Weight | 368.6 g/mol |
| Molecular Formula | C24H48O2 |
| Exact Mass | 368.365431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hig1SpqNXq1 |
|---|---|
| Name | Heneicosanoic acid, 2,5-dimethyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.365430784 u |
| Formula | C24H48O2 |
| InChI | InChI=1S/C24H48O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)20-21-23(3)24(25)26-4/h22-23H,5-21H2,1-4H3 |
| InChIKey | ILXLVLNZPNSAMT-UHFFFAOYSA-N |
| Molecular Weight | 368.646 g/mol |
| SMILES | C(CCC(C(OC)=O)C)(CCCCCCCCCCCCCCCC)C |