| SpectraBase Spectrum ID |
8Gaav1MiHZx |
| Name |
Fumaric acid, pentyl 3-phenylpropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.167459249 u |
| Formula |
C18H24O4 |
| InChI |
InChI=1S/C18H24O4/c1-2-3-7-14-21-17(19)12-13-18(20)22-15-8-11-16-9-5-4-6-10-16/h4-6,9-10,12-13H,2-3,7-8,11,14-15H2,1H3/b13-12+ |
| InChIKey |
HPXGFVMIZMDPFM-OUKQBFOZSA-N |
| SMILES |
C(\C=C\C(OCCCCC)=O)(OCCCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91916 |
