SpectraBase Spectrum ID |
Jisa6ikom2b |
Name |
Fumaric acid, 2-ethylhexyl dodec-2-en-1-yl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
394.308309828 u |
Formula |
C24H42O4 |
InChI |
InChI=1S/C24H42O4/c1-4-7-9-10-11-12-13-14-15-16-20-27-23(25)18-19-24(26)28-21-22(6-3)17-8-5-2/h15-16,18-19,22H,4-14,17,20-21H2,1-3H3/b16-15+,19-18+ |
InChIKey |
BMZDHNMRAYTARU-QQHFCDNLSA-N |
Molecular Weight |
394.596 g/mol |
SMILES |
C(\C=C\C(OC\C=C\CCCCCCCCC)=O)(OCC(CC)CCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977812 |