| SpectraBase Spectrum ID |
DgUMFrhSNqy |
| Name |
Fumaric acid, isobutyl pent-4-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.136159120 u |
| Formula |
C13H20O4 |
| InChI |
InChI=1S/C13H20O4/c1-4-5-6-9-16-12(14)7-8-13(15)17-10-11(2)3/h4,7-8,11H,1,5-6,9-10H2,2-3H3/b8-7+ |
| InChIKey |
HHXQOEXPOISSEC-BQYQJAHWSA-N |
| Molecular Weight |
240.299 g/mol |
| SMILES |
C(\C=C\C(OCC(C)C)=O)(OCCCC=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965862 |
