SpectraBase Spectrum ID |
97eMBqWldEA |
Name |
Adipic acid, octadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
612.342485326 u |
Formula |
C29H48F8O4 |
InChI |
InChI=1S/C29H48F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-40-24(38)20-17-18-21-25(39)41-23-27(32,33)29(36,37)28(34,35)26(30)31/h26H,2-23H2,1H3 |
InChIKey |
RJXNBVTVZREHGI-UHFFFAOYSA-N |
Molecular Weight |
612.686 g/mol |
SMILES |
C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)CC(OCCCCCCCCCCCCCCCCCC)=O |