| SpectraBase Compound ID | 8GIOQcH0AOX |
|---|---|
| InChI | InChI=1S/C23H44O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-27-21(24)18-26-19-22(25)28-20-23(2,3)4/h5-20H2,1-4H3 |
| InChIKey | YUUVGIZDJOTVTR-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 | AFjaqEbmG0W |
|---|---|
| Name | Diglycolic acid, neopentyl 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/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-27-21(24)18-26-19-22(25)28-20-23(2,3)4/h5-20H2,1-4H3 |
| InChIKey | YUUVGIZDJOTVTR-UHFFFAOYSA-N |
| Molecular Weight | 400.600 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCCCCCCCC)(=O)OCC(C)(C)C |