| SpectraBase Spectrum ID |
2cbXhfu7cDd |
| Name |
Fumaric acid, pent-4-en-2-yl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.120509056 u |
| Formula |
C12H18O4 |
| InChI |
InChI=1S/C12H18O4/c1-4-6-10(3)16-12(14)8-7-11(13)15-9-5-2/h4,7-8,10H,1,5-6,9H2,2-3H3/b8-7+ |
| InChIKey |
FFCNSQCGMWSGEA-BQYQJAHWSA-N |
| Molecular Weight |
226.272 g/mol |
| SMILES |
C=CCC(OC(\C=C\C(OCCC)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937476 |
