| SpectraBase Spectrum ID |
DFUbQNHTMCj |
| Name |
Fumaric acid, dec-4-enyl undecyl 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/c1-3-5-7-9-11-13-15-17-19-23-29-25(27)21-20-24(26)28-22-18-16-14-12-10-8-6-4-2/h12,14,20-21H,3-11,13,15-19,22-23H2,1-2H3/b14-12+,21-20+ |
| InChIKey |
ITWJPALOVIIXML-KFSAMSKSSA-N |
| Molecular Weight |
408.623 g/mol |
| SMILES |
C(OCCC\C=C\CCCCC)(\C=C\C(OCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.984397 |
