| SpectraBase Compound ID | 1drCc2iHSDg |
|---|---|
| InChI | InChI=1S/C19H36O5/c1-4-6-7-8-9-10-11-12-13-23-18(20)15-22-16-19(21)24-14-17(3)5-2/h17H,4-16H2,1-3H3 |
| InChIKey | PZPQZHRYFLZJHV-UHFFFAOYSA-N |
| Mol Weight | 344.5 g/mol |
| Molecular Formula | C19H36O5 |
| Exact Mass | 344.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BUz6UJeZrwU |
|---|---|
| Name | Diglycolic acid, decyl 2-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.256274254 u |
| Formula | C19H36O5 |
| InChI | InChI=1S/C19H36O5/c1-4-6-7-8-9-10-11-12-13-23-18(20)15-22-16-19(21)24-14-17(3)5-2/h17H,4-16H2,1-3H3 |
| InChIKey | PZPQZHRYFLZJHV-UHFFFAOYSA-N |
| Molecular Weight | 344.492 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCCCC)(=O)OCC(C)CC |