| SpectraBase Spectrum ID |
HEv3srOZdUm |
| Name |
Succinic acid, di(3-methylbenzyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.151809184 u |
| Formula |
C20H22O4 |
| InChI |
InChI=1S/C20H22O4/c1-15-5-3-7-17(11-15)13-23-19(21)9-10-20(22)24-14-18-8-4-6-16(2)12-18/h3-8,11-12H,9-10,13-14H2,1-2H3 |
| InChIKey |
MQQMUGRCVFGEMI-UHFFFAOYSA-N |
| Molecular Weight |
326.392 g/mol |
| SMILES |
C(OC(=O)CCC(OCC=1C=CC=C(C)C1)=O)C=1C=CC=C(C)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952006 |
