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3-[4'-(2,3-Dihydroxypropyloxy)-3-(1H,1H,2H,2H,3H,3H-perfluorohexyl)-biphenyl-4-yloxy]-propane-1,2-diol
SpectraBase Compound ID GeNKmpiTRQ0
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
Mol Weight 544.46 g/mol
Molecular Formula C24H27F7O6
Exact Mass 544.169586 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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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