| SpectraBase Spectrum ID |
EsyVLG7sKYw |
| Name |
Fumaric acid, allyl octadecyl 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/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-29-25(27)21-20-24(26)28-22-4-2/h4,20-21H,2-3,5-19,22-23H2,1H3/b21-20+ |
| InChIKey |
YFXRVAPLSJHMGG-QZQOTICOSA-N |
| Molecular Weight |
408.623 g/mol |
| SMILES |
C(CCCCOC(\C=C\C(OCC=C)=O)=O)CCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951251 |
