SpectraBase Spectrum ID |
X7fzk6AQGz |
Name |
Fumaric acid, 4-octyl pentadecyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
438.370910086 u |
Formula |
C27H50O4 |
InChI |
InChI=1S/C27H50O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-24-30-26(28)22-23-27(29)31-25(20-6-3)21-8-5-2/h22-23,25H,4-21,24H2,1-3H3/b23-22+ |
InChIKey |
ANKTWCLNOFHBAI-GHVJWSGMSA-N |
Molecular Weight |
438.693 g/mol |
SMILES |
C(CCCCCCOC(\C=C\C(OC(CCCC)CCC)=O)=O)CCCCCCCC |