| SpectraBase Compound ID | AegCg6W8gCu |
|---|---|
| InChI | InChI=1S/C21H40O5/c1-3-5-7-9-10-11-13-15-17-26-21(23)19-24-18-20(22)25-16-14-12-8-6-4-2/h3-19H2,1-2H3 |
| InChIKey | RYDYDSHBAWJJAE-UHFFFAOYSA-N |
| Mol Weight | 372.5 g/mol |
| Molecular Formula | C21H40O5 |
| Exact Mass | 372.287574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5n3l2L5YIPO |
|---|---|
| Name | Diglycolic acid, decyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.287574383 u |
| Formula | C21H40O5 |
| InChI | InChI=1S/C21H40O5/c1-3-5-7-9-10-11-13-15-17-26-21(23)19-24-18-20(22)25-16-14-12-8-6-4-2/h3-19H2,1-2H3 |
| InChIKey | RYDYDSHBAWJJAE-UHFFFAOYSA-N |
| Molecular Weight | 372.546 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCCCC)(=O)OCCCCCCC |