| SpectraBase Spectrum ID |
IffJsWOATRi |
| Name |
Glutaric acid, isohexyl 3-phenylprop-2-enyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.198759378 u |
| Formula |
C20H28O4 |
| InChI |
InChI=1S/C20H28O4/c1-17(2)9-7-15-23-19(21)13-6-14-20(22)24-16-8-12-18-10-4-3-5-11-18/h3-5,8,10-12,17H,6-7,9,13-16H2,1-2H3/b12-8+ |
| InChIKey |
RARGZJMXNPOUDS-XYOKQWHBSA-N |
| Molecular Weight |
332.440 g/mol |
| SMILES |
CC(C)CCCOC(CCCC(OC\C=C\C1=CC=CC=C1)=O)=O |
