| SpectraBase Compound ID | LibexyZSJ8D |
|---|---|
| InChI | InChI=1S/C29H56O3/c1-28(30)26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29(31)32-2/h3-27H2,1-2H3 |
| InChIKey | FNYVZBHWHVKDFE-UHFFFAOYSA-N |
| Mol Weight | 452.8 g/mol |
| Molecular Formula | C29H56O3 |
| Exact Mass | 452.422946 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3oiX7IOafud |
|---|---|
| Name | Octacosanoic acid, 27-oxo-,methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 452.422945660 u |
| Formula | C29H56O3 |
| InChI | InChI=1S/C29H56O3/c1-28(30)26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29(31)32-2/h3-27H2,1-2H3 |
| InChIKey | FNYVZBHWHVKDFE-UHFFFAOYSA-N |
| Molecular Weight | 452.764 g/mol |
| SMILES | C(CCCCCCCCCCCCCCCCCCCCCCCCC(C)=O)C(OC)=O |