| SpectraBase Spectrum ID |
DZ1nlQF4xmU |
| Name |
Fumaric acid, isobutyl 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/c1-5-6-11(4)17-13(15)8-7-12(14)16-9-10(2)3/h5,7-8,10-11H,1,6,9H2,2-4H3/b8-7+ |
| InChIKey |
WXNYTZSPSXNNFE-BQYQJAHWSA-N |
| Molecular Weight |
240.299 g/mol |
| SMILES |
C=CCC(OC(\C=C\C(OCC(C)C)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980944 |
