| SpectraBase Compound ID | 2C2xJUiC7y1 |
|---|---|
| InChI | InChI=1S/C20H22O5/c21-19(24-13-11-17-7-3-1-4-8-17)15-23-16-20(22)25-14-12-18-9-5-2-6-10-18/h1-10H,11-16H2 |
| InChIKey | FWZJIESNNCLMAL-UHFFFAOYSA-N |
| Mol Weight | 342.39 g/mol |
| Molecular Formula | C20H22O5 |
| Exact Mass | 342.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Y1AEHMOaeq |
|---|---|
| Name | Diglycolic acid, di(phenethyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.146723803 u |
| Formula | C20H22O5 |
| InChI | InChI=1S/C20H22O5/c21-19(24-13-11-17-7-3-1-4-8-17)15-23-16-20(22)25-14-12-18-9-5-2-6-10-18/h1-10H,11-16H2 |
| InChIKey | FWZJIESNNCLMAL-UHFFFAOYSA-N |
| Molecular Weight | 342.391 g/mol |
| SMILES | C(COCC(=O)OCCC1=CC=CC=C1)(=O)OCCC1=CC=CC=C1 |