| SpectraBase Compound ID | 3dQzsvDuThM |
|---|---|
| InChI | InChI=1S/C23H44O5/c1-3-5-7-9-11-12-13-15-17-19-28-23(25)21-26-20-22(24)27-18-16-14-10-8-6-4-2/h3-21H2,1-2H3 |
| InChIKey | UIVMRQKEWOSAIE-UHFFFAOYSA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C23H44O5 |
| Exact Mass | 400.318875 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K2CTroDAG1D |
|---|---|
| Name | Diglycolic acid, octyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 400.318874512 u |
| Formula | C23H44O5 |
| InChI | InChI=1S/C23H44O5/c1-3-5-7-9-11-12-13-15-17-19-28-23(25)21-26-20-22(24)27-18-16-14-10-8-6-4-2/h3-21H2,1-2H3 |
| InChIKey | UIVMRQKEWOSAIE-UHFFFAOYSA-N |
| Molecular Weight | 400.600 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCCCCC)(=O)OCCCCCCCC |