| SpectraBase Spectrum ID |
BTVe1JrZ7Rr |
| Name |
Fumaric acid, heptyl tetradec-3-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.323959893 u |
| Formula |
C25H44O4 |
| InChI |
InChI=1S/C25H44O4/c1-3-5-7-9-10-11-12-13-14-15-17-19-23-29-25(27)21-20-24(26)28-22-18-16-8-6-4-2/h15,17,20-21H,3-14,16,18-19,22-23H2,1-2H3/b17-15+,21-20+ |
| InChIKey |
SULMRNNJKVMXJE-SLIKNIJUSA-N |
| Molecular Weight |
408.623 g/mol |
| SMILES |
C(\C=C\C(OCCCCCCC)=O)(OCC\C=C\CCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960207 |
