| SpectraBase Spectrum ID |
9JNrQeF2Ynl |
| Name |
Fumaric acid, heptyl trans-hex-3-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.198759378 u |
| Formula |
C17H28O4 |
| InChI |
InChI=1S/C17H28O4/c1-3-5-7-9-11-15-21-17(19)13-12-16(18)20-14-10-8-6-4-2/h6,8,12-13H,3-5,7,9-11,14-15H2,1-2H3/b8-6+,13-12+ |
| InChIKey |
BCEIUXPWGYTDGB-JQAHBYNNSA-N |
| Molecular Weight |
296.407 g/mol |
| SMILES |
C(OCC\C=C\CC)(\C=C\C(OCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83565 |
