| SpectraBase Spectrum ID |
GWMxBmkczbH |
| Name |
Succinic acid, 2-ethylhexyl phenethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.214409442 u |
| Formula |
C20H30O4 |
| InChI |
InChI=1S/C20H30O4/c1-3-5-9-17(4-2)16-24-20(22)13-12-19(21)23-15-14-18-10-7-6-8-11-18/h6-8,10-11,17H,3-5,9,12-16H2,1-2H3 |
| InChIKey |
KJUOHTMMXSSDNC-UHFFFAOYSA-N |
| Molecular Weight |
334.456 g/mol |
| SMILES |
C(CC(OCC(CC)CCCC)=O)C(OCCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974507 |
