| SpectraBase Spectrum ID |
DlUCsMCdGd1 |
| Name |
Fumaric acid, hexadecyl tetrahydrofurfuryl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.318874512 u |
| Formula |
C25H44O5 |
| InChI |
InChI=1S/C25H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-29-24(26)18-19-25(27)30-22-23-17-16-21-28-23/h18-19,23H,2-17,20-22H2,1H3/b19-18+ |
| InChIKey |
LFQYWUZFGQBAMO-VHEBQXMUSA-N |
| Molecular Weight |
424.622 g/mol |
| SMILES |
C(CCCCCCCOC(\C=C\C(OCC1OCCC1)=O)=O)CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954457 |
