| SpectraBase Spectrum ID |
Cug7HIm3loN |
| Name |
Fumaric acid, decyl 6-ethyloct-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.323959893 u |
| Formula |
C24H44O4 |
| InChI |
InChI=1S/C24H44O4/c1-5-9-10-11-12-13-14-15-20-27-23(25)18-19-24(26)28-22(8-4)17-16-21(6-2)7-3/h18-19,21-22H,5-17,20H2,1-4H3/b19-18+ |
| InChIKey |
BEIBGOQKGUNHQZ-VHEBQXMUSA-N |
| Molecular Weight |
396.612 g/mol |
| SMILES |
C(\C=C\C(OC(CCC(CC)CC)CC)=O)(OCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968434 |
