| SpectraBase Spectrum ID |
CsDM9GJLXtp |
| Name |
Fumaric acid, 2-ethylhexyl 3-methylbut-2-en-1-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.198759378 u |
| Formula |
C17H28O4 |
| InChI |
InChI=1S/C17H28O4/c1-5-7-8-15(6-2)13-21-17(19)10-9-16(18)20-12-11-14(3)4/h9-11,15H,5-8,12-13H2,1-4H3/b10-9+ |
| InChIKey |
OGSWJCBHEPFYDH-MDZDMXLPSA-N |
| Molecular Weight |
296.407 g/mol |
| SMILES |
C(\C=C\C(OCC=C(C)C)=O)(OCC(CC)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982555 |
