| SpectraBase Compound ID | D952SOBdTbw |
|---|---|
| InChI | InChI=1S/C23H44O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-27-22(24)19-26-20-23(25)28-18-16-21(2)3/h21H,4-20H2,1-3H3 |
| InChIKey | QJYRFQQOSMDIKC-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 | BgXgnrD7QWn |
|---|---|
| Name | Diglycolic acid, 3-methylbutyl tetradecyl 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/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-27-22(24)19-26-20-23(25)28-18-16-21(2)3/h21H,4-20H2,1-3H3 |
| InChIKey | QJYRFQQOSMDIKC-UHFFFAOYSA-N |
| Molecular Weight | 400.600 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCCCCCCCC)(=O)OCCC(C)C |