| SpectraBase Compound ID | EjKgpNYLGKE |
|---|---|
| InChI | InChI=1S/C15H20O6/c1-4-19-14(16)9-18-10-15(17)21-13-8-6-5-7-12(13)20-11(2)3/h5-8,11H,4,9-10H2,1-3H3 |
| InChIKey | IHUXXXMBGRPSEI-UHFFFAOYSA-N |
| Mol Weight | 296.32 g/mol |
| Molecular Formula | C15H20O6 |
| Exact Mass | 296.125988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J8oqAqNmfkR |
|---|---|
| Name | Diglycolic acid, ethyl 2-isopropoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.125988358 u |
| Formula | C15H20O6 |
| InChI | InChI=1S/C15H20O6/c1-4-19-14(16)9-18-10-15(17)21-13-8-6-5-7-12(13)20-11(2)3/h5-8,11H,4,9-10H2,1-3H3 |
| InChIKey | IHUXXXMBGRPSEI-UHFFFAOYSA-N |
| SMILES | C(COCC(=O)OCC)(=O)OC1=C(C=CC=C1)OC(C)C |