SpectraBase Spectrum ID |
4T7O7PDTKsP |
Name |
Diethylmalonic acid, heptadecyl 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/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-40-24(38)26(5-2,6-3)25(39)41-22-27(32,33)29(36,37)28(34,35)23(30)31/h23H,4-22H2,1-3H3 |
InChIKey |
CLDKJRIXJSOQKG-UHFFFAOYSA-N |
Molecular Weight |
612.686 g/mol |
SMILES |
C(C(C(OCCCCCCCCCCCCCCCCC)=O)(CC)CC)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O |