| SpectraBase Compound ID | 4N3DtClN12T |
|---|---|
| InChI | InChI=1S/C13H16O6/c1-3-18-12(14)8-17-9-13(15)19-11-6-4-10(16-2)5-7-11/h4-7H,3,8-9H2,1-2H3 |
| InChIKey | LDHMSNBKKPBUOH-UHFFFAOYSA-N |
| Mol Weight | 268.26 g/mol |
| Molecular Formula | C13H16O6 |
| Exact Mass | 268.094688 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4AHp7EmYkV9 |
|---|---|
| Name | Diglycolic acid, ethyl 4-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.094688229 u |
| Formula | C13H16O6 |
| InChI | InChI=1S/C13H16O6/c1-3-18-12(14)8-17-9-13(15)19-11-6-4-10(16-2)5-7-11/h4-7H,3,8-9H2,1-2H3 |
| InChIKey | LDHMSNBKKPBUOH-UHFFFAOYSA-N |
| SMILES | C(COCC(=O)OCC)(=O)OC1=CC=C(OC)C=C1 |