| SpectraBase Spectrum ID |
E2G3HR8Fm8u |
| Name |
Diglycolic acid, ethyl 2-methylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.099773610 u |
| Formula |
C13H16O5 |
| InChI |
InChI=1S/C13H16O5/c1-3-17-12(14)8-16-9-13(15)18-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3 |
| InChIKey |
QWIJAZAVVVPHBP-UHFFFAOYSA-N |
| Molecular Weight |
252.266 g/mol |
| SMILES |
C(COCC(=O)OCC)(=O)OC1=C(C=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869182 |
