SpectraBase Spectrum ID |
3qMovdFCQP8 |
Name |
Succinic acid, 3,4-dimethylphenyl 2-methoxyethyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
280.131073739 u |
Formula |
C15H20O5 |
InChI |
InChI=1S/C15H20O5/c1-11-4-5-13(10-12(11)2)20-15(17)7-6-14(16)19-9-8-18-3/h4-5,10H,6-9H2,1-3H3 |
InChIKey |
SWSMOEGRHORVBJ-UHFFFAOYSA-N |
SMILES |
C1=C(C=C(C(=C1)C)C)OC(=O)CCC(OCCOC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961093 |