| SpectraBase Spectrum ID |
AUeyWWbrREh |
| Name |
Diethylmalonic acid, eicosyl 2,2,3,4,4,4-hexafluorobutyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
604.392629193 u |
| Formula |
C31H54F6O4 |
| InChI |
InChI=1S/C31H54F6O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-40-27(38)29(5-2,6-3)28(39)41-25-30(33,34)26(32)31(35,36)37/h26H,4-25H2,1-3H3/t26-/m0/s1 |
| InChIKey |
MXGHLEHYYKVTTG-SANMLTNESA-N |
| Molecular Weight |
604.759 g/mol |
| SMILES |
C(C(C(OCCCCCCCCCCCCCCCCCCCC)=O)(CC)CC)(OCC([C@@](C(F)(F)F)(F)[H])(F)F)=O |
