| SpectraBase Compound ID | A4WDzcugrob |
|---|---|
| InChI | InChI=1S/C18H36O10/c1-20-3-4-22-5-6-23-7-8-24-9-10-25-11-12-26-13-14-27-15-16-28-17-18(19)21-2/h3-17H2,1-2H3 |
| InChIKey | WIGJIKGWMQIYGO-UHFFFAOYSA-N |
| Mol Weight | 412.5 g/mol |
| Molecular Formula | C18H36O10 |
| Exact Mass | 412.230847 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BLmYg5bw4s9 |
|---|---|
| Name | Methyl 2,5,8,11,14,17,20,23-octaoxapentacosan-25-oate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.230847349 u |
| Formula | C18H36O10 |
| InChI | InChI=1S/C18H36O10/c1-20-3-4-22-5-6-23-7-8-24-9-10-25-11-12-26-13-14-27-15-16-28-17-18(19)21-2/h3-17H2,1-2H3 |
| InChIKey | WIGJIKGWMQIYGO-UHFFFAOYSA-N |
| Molecular Weight | 412.476 g/mol |
| SMILES | COCCOCCOCCOCCOCCOCCOCCOCC(OC)=O |