| SpectraBase Spectrum ID |
9uoACNsengk |
| Name |
Fumaric acid, ethyl 1-phenylprop-1-yl 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/c1-3-13(12-8-6-5-7-9-12)19-15(17)11-10-14(16)18-4-2/h5-11,13H,3-4H2,1-2H3/b11-10+ |
| InChIKey |
XDHCCSALIVGTBU-ZHACJKMWSA-N |
| Molecular Weight |
262.305 g/mol |
| SMILES |
C(\C=C\C(OCC)=O)(OC(CC)C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859463 |
