| SpectraBase Compound ID | Htkh3ghvQ8 |
|---|---|
| InChI | InChI=1S/C14H18O5/c1-2-18-13(15)10-17-11-14(16)19-9-8-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3 |
| InChIKey | PYBKCWURVFMLAY-UHFFFAOYSA-N |
| Mol Weight | 266.29 g/mol |
| Molecular Formula | C14H18O5 |
| Exact Mass | 266.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BQ0rvyQFBIQ |
|---|---|
| Name | Diglycolic acid, ethyl phenethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.115423675 u |
| Formula | C14H18O5 |
| InChI | InChI=1S/C14H18O5/c1-2-18-13(15)10-17-11-14(16)19-9-8-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3 |
| InChIKey | PYBKCWURVFMLAY-UHFFFAOYSA-N |
| Molecular Weight | 266.293 g/mol |
| SMILES | C(COCC(=O)OCC)(=O)OCCC1=CC=CC=C1 |