| SpectraBase Spectrum ID |
JEKZKrmUKrS |
| Name |
Diglycolic acid, ethyl phenethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952605 |
