| SpectraBase Compound ID | 39R6u7FWnGn |
|---|---|
| InChI | InChI=1S/C19H38O9/c1-3-4-5-28-19(20)18-27-17-16-26-15-14-25-13-12-24-11-10-23-9-8-22-7-6-21-2/h3-18H2,1-2H3 |
| InChIKey | NPYSLGUGNKFRFA-UHFFFAOYSA-N |
| Mol Weight | 410.5 g/mol |
| Molecular Formula | C19H38O9 |
| Exact Mass | 410.251583 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BTEknycPTrx |
|---|---|
| Name | Butyl 2,5,8,11,14,17,20-heptaoxadocosan-22-oate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.251582795 u |
| Formula | C19H38O9 |
| InChI | InChI=1S/C19H38O9/c1-3-4-5-28-19(20)18-27-17-16-26-15-14-25-13-12-24-11-10-23-9-8-22-7-6-21-2/h3-18H2,1-2H3 |
| InChIKey | NPYSLGUGNKFRFA-UHFFFAOYSA-N |
| Molecular Weight | 410.504 g/mol |
| SMILES | COCCOCCOCCOCCOCCOCCOCC(OCCCC)=O |