| SpectraBase Spectrum ID |
DdRQIjKZtwI |
| Name |
Fumaric acid, isohexyl 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 |
268.167459249 u |
| Formula |
C15H24O4 |
| InChI |
InChI=1S/C15H24O4/c1-5-7-13(4)19-15(17)10-9-14(16)18-11-6-8-12(2)3/h5,9-10,12-13H,1,6-8,11H2,2-4H3/b10-9+ |
| InChIKey |
UKGGBDYWJNILMW-MDZDMXLPSA-N |
| Molecular Weight |
268.353 g/mol |
| SMILES |
C=CCC(OC(\C=C\C(OCCCC(C)C)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978554 |
