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3-[4'-(2,3-Dihydroxypropyloxy)-2-(1H,1H,2H,2H,3H,3H-perfluoroundecyl)-biphenyl-4-yloxy]-propane-1,2-diol

View entire compound with spectra: 2 NMR

3-[4'-(2,3-Dihydroxypropyloxy)-2-(1H,1H,2H,2H,3H,3H-perfluoroundecyl)-biphenyl-4-yloxy]-propane-1,2-diol
SpectraBase Compound ID EV08rfk2cEE
InChI InChI=1S/C29H27F17O6/c30-22(31,23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)28(42,43)29(44,45)46)9-1-2-16-10-20(52-14-18(50)12-48)7-8-21(16)15-3-5-19(6-4-15)51-13-17(49)11-47/h3-8,10,17-18,47-50H,1-2,9,11-14H2
InChIKey JXYHWVDZBWZILP-UHFFFAOYSA-N
Mol Weight 794.5 g/mol
Molecular Formula C29H27F17O6
Exact Mass 794.153617 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5qtvhWr45r1
Name 3-[4'-(2,3-Dihydroxypropyloxy)-2-(1H,1H,2H,2H,3H,3H-perfluoroundecyl)-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 794.153617354 u
Formula C29H27F17O6
InChI InChI=1S/C29H27F17O6/c30-22(31,23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)28(42,43)29(44,45)46)9-1-2-16-10-20(52-14-18(50)12-48)7-8-21(16)15-3-5-19(6-4-15)51-13-17(49)11-47/h3-8,10,17-18,47-50H,1-2,9,11-14H2
InChIKey JXYHWVDZBWZILP-UHFFFAOYSA-N
Molecular Weight 794.502 g/mol
SMILES C1(OCC(O)CO)=CC=C(C2=C(C=C(C=C2)OCC(O)CO)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1