| SpectraBase Compound ID | KxpomUlXhPt |
|---|---|
| InChI | InChI=1S/C25H48O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(26)23-25(27)28-2/h3-23H2,1-2H3 |
| InChIKey | UVBMUHRWLWRMKS-UHFFFAOYSA-N |
| Mol Weight | 396.7 g/mol |
| Molecular Formula | C25H48O3 |
| Exact Mass | 396.360345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EnNjcnB08Ys |
|---|---|
| Name | Tetracosanoic acid, 3-oxo-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.360345403 u |
| Formula | C25H48O3 |
| InChI | InChI=1S/C25H48O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(26)23-25(27)28-2/h3-23H2,1-2H3 |
| InChIKey | UVBMUHRWLWRMKS-UHFFFAOYSA-N |
| Molecular Weight | 396.656 g/mol |
| SMILES | C(CCC(CC(OC)=O)=O)CCCCCCCCCCCCCCCCCC |