| SpectraBase Spectrum ID |
7saHirP2R4h |
| Name |
Diethylmalonic acid, hexadecyl pentafluorobenzyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
564.323800740 u |
| Formula |
C30H45F5O4 |
| InChI |
InChI=1S/C30H45F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-38-28(36)30(5-2,6-3)29(37)39-21-22-23(31)25(33)27(35)26(34)24(22)32/h4-21H2,1-3H3 |
| InChIKey |
GFHMOQHWIVKKMU-UHFFFAOYSA-N |
| Molecular Weight |
564.678 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCCCCCCC)=O)(C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)CC |
