SpectraBase Spectrum ID |
E0rig4dh9q |
Name |
Fumaric acid, dodecyl 2-octyl 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/c1-4-6-8-10-11-12-13-14-15-17-21-27-23(25)19-20-24(26)28-22(3)18-16-9-7-5-2/h19-20,22H,4-18,21H2,1-3H3/b20-19+ |
InChIKey |
FTRCKGICEAKEMP-FMQUCBEESA-N |
Molecular Weight |
396.612 g/mol |
SMILES |
C(CCCOC(\C=C\C(OC(CCCCCC)C)=O)=O)CCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979882 |