| SpectraBase Spectrum ID |
2lPbQB2dVYL |
| Name |
Fumaric acid, di(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/c1-7-19(8-2)13-15-21(11-5)27-23(25)17-18-24(26)28-22(12-6)16-14-20(9-3)10-4/h17-22H,7-16H2,1-6H3/b18-17+ |
| InChIKey |
KZHSBIAHPSIBFO-ISLYRVAYSA-N |
| Molecular Weight |
396.612 g/mol |
| SMILES |
C(CCC(OC(\C=C\C(OC(CCC(CC)CC)CC)=O)=O)CC)(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919889 |
