SpectraBase Spectrum ID |
EqPWMjyfjM4 |
Name |
3-[4'-(2,3-Dihydroxypropyloxy)-3-(1H,1H,2H,2H,3H,3H-perfluorohexyl)-biphenyl-4-yloxy]-propane-1,2-diol |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
544.169585724 u |
Formula |
C24H27F7O6 |
InChI |
InChI=1S/C24H27F7O6/c25-22(26,23(27,28)24(29,30)31)9-1-2-17-10-16(5-8-21(17)37-14-19(35)12-33)15-3-6-20(7-4-15)36-13-18(34)11-32/h3-8,10,18-19,32-35H,1-2,9,11-14H2 |
InChIKey |
WXIAOQPZHVPFCA-UHFFFAOYSA-N |
Molecular Weight |
544.463 g/mol |
SMILES |
C1(OCC(O)CO)=CC=C(C2=CC(=C(C=C2)OCC(O)CO)CCCC(F)(F)C(F)(F)C(F)(F)F)C=C1 |