| SpectraBase Compound ID | 2AEdYkpXMyl |
|---|---|
| InChI | InChI=1S/C20H38O5/c1-5-7-9-11-13-17(3)24-19(21)15-23-16-20(22)25-18(4)14-12-10-8-6-2/h17-18H,5-16H2,1-4H3 |
| InChIKey | XCSVHQKODNCZAE-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 | 2f29pRMnJ5q |
|---|---|
| Name | Diglycolic acid, di(2-octyl) 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/c1-5-7-9-11-13-17(3)24-19(21)15-23-16-20(22)25-18(4)14-12-10-8-6-2/h17-18H,5-16H2,1-4H3 |
| InChIKey | XCSVHQKODNCZAE-UHFFFAOYSA-N |
| Molecular Weight | 358.519 g/mol |
| SMILES | C(COCC(=O)OC(CCCCCC)C)(=O)OC(C)CCCCCC |