| SpectraBase Compound ID | 1tyWLXM2Uwu |
|---|---|
| InChI | InChI=1S/C20H28O6/c1-3-4-5-6-7-10-13-25-19(22)14-24-15-20(23)26-18-12-9-8-11-17(18)16(2)21/h8-9,11-12H,3-7,10,13-15H2,1-2H3 |
| InChIKey | KNUYXZORSDYQKX-UHFFFAOYSA-N |
| Mol Weight | 364.44 g/mol |
| Molecular Formula | C20H28O6 |
| Exact Mass | 364.188589 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IUYmvhVzo7x |
|---|---|
| Name | Diglycolic acid, 2-acetylphenyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.188588616 u |
| Formula | C20H28O6 |
| InChI | InChI=1S/C20H28O6/c1-3-4-5-6-7-10-13-25-19(22)14-24-15-20(23)26-18-12-9-8-11-17(18)16(2)21/h8-9,11-12H,3-7,10,13-15H2,1-2H3 |
| InChIKey | KNUYXZORSDYQKX-UHFFFAOYSA-N |
| Molecular Weight | 364.438 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCC)(=O)OC1=C(C=CC=C1)C(C)=O |