| SpectraBase Compound ID | 14vX69sWRYR |
|---|---|
| InChI | InChI=1S/C23H42O6/c1-3-5-6-7-8-9-10-11-12-16-28-21(24)14-13-15-22(25)29-19-23(4-2)17-26-20-27-18-23/h3-20H2,1-2H3 |
| InChIKey | OQHXGNPRCPFDBN-UHFFFAOYSA-N |
| Mol Weight | 414.6 g/mol |
| Molecular Formula | C23H42O6 |
| Exact Mass | 414.298139 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ByIiT95Uepx |
|---|---|
| Name | Glutaric acid, (5-ethyl-1,3-dioxan-5-yl)methyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 414.298139066 u |
| Formula | C23H42O6 |
| InChI | InChI=1S/C23H42O6/c1-3-5-6-7-8-9-10-11-12-16-28-21(24)14-13-15-22(25)29-19-23(4-2)17-26-20-27-18-23/h3-20H2,1-2H3 |
| InChIKey | OQHXGNPRCPFDBN-UHFFFAOYSA-N |
| Molecular Weight | 414.583 g/mol |
| SMILES | C(C1(COCOC1)CC)OC(=O)CCCC(OCCCCCCCCCCC)=O |