SpectraBase Spectrum ID |
AnvDvz9SpSt |
Name |
Fumaric acid, ethyl 3-phenylpropyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
262.120509056 u |
Formula |
C15H18O4 |
InChI |
InChI=1S/C15H18O4/c1-2-18-14(16)10-11-15(17)19-12-6-9-13-7-4-3-5-8-13/h3-5,7-8,10-11H,2,6,9,12H2,1H3/b11-10+ |
InChIKey |
OJADOFHSYSSQFR-ZHACJKMWSA-N |
Molecular Weight |
262.305 g/mol |
SMILES |
CCOC(\C=C\C(OCCCC1=CC=CC=C1)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953518 |