| SpectraBase Compound ID | 62CbLbg1PSm |
|---|---|
| InChI | InChI=1S/C27H52O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-26(28)24-21-18-16-19-22-25-27(29)30-2/h3-25H2,1-2H3 |
| InChIKey | CPXVTKNQCMDWFS-UHFFFAOYSA-N |
| Mol Weight | 424.7 g/mol |
| Molecular Formula | C27H52O3 |
| Exact Mass | 424.391646 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2LtKu4m1Kfk |
|---|---|
| Name | Hexacosanoic acid, 9-oxo-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 424.391645531 u |
| Formula | C27H52O3 |
| InChI | InChI=1S/C27H52O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-26(28)24-21-18-16-19-22-25-27(29)30-2/h3-25H2,1-2H3 |
| InChIKey | CPXVTKNQCMDWFS-UHFFFAOYSA-N |
| Molecular Weight | 424.710 g/mol |
| SMILES | C(C(CCCCCCCCCCCCCCCCC)=O)CCCCCCC(OC)=O |