| SpectraBase Spectrum ID |
5CHFrJfpmZ5 |
| Name |
Fumaric acid, butyl 3-ethylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.136159120 u |
| Formula |
C16H20O4 |
| InChI |
InChI=1S/C16H20O4/c1-3-5-11-19-15(17)9-10-16(18)20-14-8-6-7-13(4-2)12-14/h6-10,12H,3-5,11H2,1-2H3/b10-9+ |
| InChIKey |
GTZFJRUPSXQDPO-MDZDMXLPSA-N |
| SMILES |
C(OC1=CC(=CC=C1)CC)(\C=C\C(OCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.80792 |
