| SpectraBase Compound ID | 6W7gZo43ZNF |
|---|---|
| InChI | InChI=1S/C22H40O6/c1-3-5-6-7-8-9-10-11-15-27-20(23)13-12-14-21(24)28-18-22(4-2)16-25-19-26-17-22/h3-19H2,1-2H3 |
| InChIKey | QXONIHVXGUTMFS-UHFFFAOYSA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C22H40O6 |
| Exact Mass | 400.282489 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Au4kMceC0qz |
|---|---|
| Name | Glutaric acid, (5-ethyl-1,3-dioxan-5-yl)methyl decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 400.282489002 u |
| Formula | C22H40O6 |
| InChI | InChI=1S/C22H40O6/c1-3-5-6-7-8-9-10-11-15-27-20(23)13-12-14-21(24)28-18-22(4-2)16-25-19-26-17-22/h3-19H2,1-2H3 |
| InChIKey | QXONIHVXGUTMFS-UHFFFAOYSA-N |
| Molecular Weight | 400.556 g/mol |
| SMILES | C(C1(COCOC1)CC)OC(=O)CCCC(OCCCCCCCCCC)=O |