| SpectraBase Spectrum ID |
I3a64Zud3IU |
| Name |
Fumaric acid, di(2-phenylethyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.136159120 u |
| Formula |
C20H20O4 |
| InChI |
InChI=1S/C20H20O4/c21-19(23-15-13-17-7-3-1-4-8-17)11-12-20(22)24-16-14-18-9-5-2-6-10-18/h1-12H,13-16H2/b12-11+ |
| InChIKey |
IRPXHZWJKDZEHW-VAWYXSNFSA-N |
| Molecular Weight |
324.376 g/mol |
| SMILES |
C(COC(\C=C\C(OCCC1=CC=CC=C1)=O)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92692 |
