| SpectraBase Spectrum ID |
KkeRnJeUjD7 |
| Name |
Fumaric acid, butyl pent-4-en-2-yl 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/c1-4-6-10-16-12(14)8-9-13(15)17-11(3)7-5-2/h5,8-9,11H,2,4,6-7,10H2,1,3H3/b9-8+ |
| InChIKey |
AOMRYLNKFIOIRO-CMDGGOBGSA-N |
| Molecular Weight |
240.299 g/mol |
| SMILES |
C=CCC(OC(\C=C\C(OCCCC)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969715 |
