| SpectraBase Spectrum ID |
Gxt2pOO9CSI |
| Name |
Fumaric acid, butyl 4-methoxybenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.131073739 u |
| Formula |
C16H20O5 |
| InChI |
InChI=1S/C16H20O5/c1-3-4-11-20-15(17)9-10-16(18)21-12-13-5-7-14(19-2)8-6-13/h5-10H,3-4,11-12H2,1-2H3/b10-9+ |
| InChIKey |
YAXJLUSFJLAPMW-MDZDMXLPSA-N |
| SMILES |
C(\C=C\C(OCC1=CC=C(OC)C=C1)=O)(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931942 |
