| SpectraBase Compound ID | 3N5yr27gnTi |
|---|---|
| InChI | InChI=1S/C14H18O7/c1-4-20-12(15)8-19-9-13(16)21-14-10(17-2)6-5-7-11(14)18-3/h5-7H,4,8-9H2,1-3H3 |
| InChIKey | SEHPFIZSWVJLBI-UHFFFAOYSA-N |
| Mol Weight | 298.29 g/mol |
| Molecular Formula | C14H18O7 |
| Exact Mass | 298.105253 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Car30a9DVzu |
|---|---|
| Name | Diglycolic acid, 2,6-dimethoxyphenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.105252913 u |
| Formula | C14H18O7 |
| InChI | InChI=1S/C14H18O7/c1-4-20-12(15)8-19-9-13(16)21-14-10(17-2)6-5-7-11(14)18-3/h5-7H,4,8-9H2,1-3H3 |
| InChIKey | SEHPFIZSWVJLBI-UHFFFAOYSA-N |
| SMILES | C(COCC(=O)OCC)(=O)OC1=C(C=CC=C1OC)OC |