| SpectraBase Spectrum ID |
9lkgzAdxGjn |
| Name |
Diethylmalonic acid, octadecyl pentafluorobenzyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
592.355100869 u |
| Formula |
C32H49F5O4 |
| InChI |
InChI=1S/C32H49F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-40-30(38)32(5-2,6-3)31(39)41-23-24-25(33)27(35)29(37)28(36)26(24)34/h4-23H2,1-3H3 |
| InChIKey |
WXNCOZHSLFVTPI-UHFFFAOYSA-N |
| Molecular Weight |
592.732 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCCCCCCCCC)=O)(C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)CC |
