| SpectraBase Spectrum ID |
6kR9DG9FO6N |
| Name |
Fumaric acid, 3-phenylpropyl 3-methylbut-2-en-1-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.151809184 u |
| Formula |
C18H22O4 |
| InChI |
InChI=1S/C18H22O4/c1-15(2)12-14-22-18(20)11-10-17(19)21-13-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-12H,6,9,13-14H2,1-2H3/b11-10+ |
| InChIKey |
UTNFDMGXEPZAMD-ZHACJKMWSA-N |
| SMILES |
C(\C=C\C(OCC=C(C)C)=O)(OCCCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978448 |
