SpectraBase Spectrum ID |
HvY7wUWiqFH |
Name |
Succinic acid, phenyl 2-methoxyethyl 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/c1-16-9-10-17-12(14)7-8-13(15)18-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3 |
InChIKey |
WWVZHSKHYBQNJR-UHFFFAOYSA-N |
Molecular Weight |
252.266 g/mol |
SMILES |
C1=C(C=CC=C1)OC(=O)CCC(=O)OCCOC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919758 |