| SpectraBase Compound ID | 9uf8eJV7wUG |
|---|---|
| InChI | InChI=1S/C20H38O5/c1-5-9-13-17(11-7-3)24-19(21)15-23-16-20(22)25-18(12-8-4)14-10-6-2/h17-18H,5-16H2,1-4H3 |
| InChIKey | AKHQLZSSKIHFMM-UHFFFAOYSA-N |
| Mol Weight | 358.5 g/mol |
| Molecular Formula | C20H38O5 |
| Exact Mass | 358.271924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HDKQ6FmFJNq |
|---|---|
| Name | Diglycolic acid, di(oct-4-yl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.271924319 u |
| Formula | C20H38O5 |
| InChI | InChI=1S/C20H38O5/c1-5-9-13-17(11-7-3)24-19(21)15-23-16-20(22)25-18(12-8-4)14-10-6-2/h17-18H,5-16H2,1-4H3 |
| InChIKey | AKHQLZSSKIHFMM-UHFFFAOYSA-N |
| Molecular Weight | 358.519 g/mol |
| SMILES | C(COCC(=O)OC(CCCC)CCC)(=O)OC(CCCC)CCC |