| SpectraBase Spectrum ID |
Ka1cteBcWNX |
| Name |
Fumaric acid, pentyl 2-phenylethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.151809184 u |
| Formula |
C17H22O4 |
| InChI |
InChI=1S/C17H22O4/c1-2-3-7-13-20-16(18)10-11-17(19)21-14-12-15-8-5-4-6-9-15/h4-6,8-11H,2-3,7,12-14H2,1H3/b11-10+ |
| InChIKey |
MYYNGLISKOYILW-ZHACJKMWSA-N |
| SMILES |
C(\C=C\C(OCCCCC)=O)(OCCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968153 |
