| SpectraBase Compound ID | 2WEYcsNyz7R |
|---|---|
| InChI | InChI=1S/C15H20O5/c1-2-9-19-14(16)11-18-12-15(17)20-10-8-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3 |
| InChIKey | XIUAEJOUYRVVNQ-UHFFFAOYSA-N |
| Mol Weight | 280.32 g/mol |
| Molecular Formula | C15H20O5 |
| Exact Mass | 280.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JnYqci5QxWp |
|---|---|
| Name | Diglycolic acid, phenethyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.131073739 u |
| Formula | C15H20O5 |
| InChI | InChI=1S/C15H20O5/c1-2-9-19-14(16)11-18-12-15(17)20-10-8-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3 |
| InChIKey | XIUAEJOUYRVVNQ-UHFFFAOYSA-N |
| SMILES | C(COCC(=O)OCCC)(=O)OCCC1=CC=CC=C1 |