| SpectraBase Compound ID | 9ZpN39Gjxf6 |
|---|---|
| InChI | InChI=1S/C18H36O10/c1-2-28-18(20)17-27-16-15-26-14-13-25-12-11-24-10-9-23-8-7-22-6-5-21-4-3-19/h19H,2-17H2,1H3 |
| InChIKey | WRKJUCZDBCNNQC-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 | 5mF7gRALUyg |
|---|---|
| Name | Ethyl 23-hydroxy-3,6,9,12,15,18,21-heptaoxatricosan-1-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/c1-2-28-18(20)17-27-16-15-26-14-13-25-12-11-24-10-9-23-8-7-22-6-5-21-4-3-19/h19H,2-17H2,1H3 |
| InChIKey | WRKJUCZDBCNNQC-UHFFFAOYSA-N |
| Molecular Weight | 412.476 g/mol |
| SMILES | C(O)COCCOCCOCCOCCOCCOCCOCC(OCC)=O |