| SpectraBase Spectrum ID |
GxLjfsE3slW |
| Name |
Succinic acid, 2-ethylhexyl 2-propylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.230059506 u |
| Formula |
C21H32O4 |
| InChI |
InChI=1S/C21H32O4/c1-4-7-11-17(6-3)16-24-20(22)14-15-21(23)25-19-13-9-8-12-18(19)10-5-2/h8-9,12-13,17H,4-7,10-11,14-16H2,1-3H3 |
| InChIKey |
XHHUANNMQSGTND-UHFFFAOYSA-N |
| Molecular Weight |
348.483 g/mol |
| SMILES |
C(CC(OCC(CC)CCCC)=O)C(OC=1C(CCC)=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861179 |
