| SpectraBase Compound ID | Ir6ucZCPYlj |
|---|---|
| InChI | InChI=1S/C27H52O3/c1-26(28)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)30-2/h3-25H2,1-2H3 |
| InChIKey | CQTIKDSOCOBKID-UHFFFAOYSA-N |
| Mol Weight | 424.7 g/mol |
| Molecular Formula | C27H52O3 |
| Exact Mass | 424.391646 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | D9natHeiMqB |
|---|---|
| Name | Hexacosanoic acid, 25-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/c1-26(28)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)30-2/h3-25H2,1-2H3 |
| InChIKey | CQTIKDSOCOBKID-UHFFFAOYSA-N |
| Molecular Weight | 424.710 g/mol |
| SMILES | C(CCCCCCCCCCCCCCCCCCCC(C)=O)CCCC(OC)=O |