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

View entire compound with spectra: 2 NMR

3-[4'-Hydroxy-3-(1H,1H,2H,2H,3H,3H-perfuoroundecyl)-biphenyl-4-yloxy]-propane-1,2-diol
SpectraBase Compound ID 3SPagUEG3OT
InChI InChI=1S/C26H21F17O4/c27-19(28,20(29,30)21(31,32)22(33,34)23(35,36)24(37,38)25(39,40)26(41,42)43)9-1-2-15-10-14(13-3-6-16(45)7-4-13)5-8-18(15)47-12-17(46)11-44/h3-8,10,17,44-46H,1-2,9,11-12H2
InChIKey DHECFDXZIXUOFG-UHFFFAOYSA-N
Mol Weight 720.42 g/mol
Molecular Formula C26H21F17O4
Exact Mass 720.116838 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HB3PN0RYO7c
Name 3-[4'-Hydroxy-3-(1H,1H,2H,2H,3H,3H-perfuoroundecyl)-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 720.116837923 u
Formula C26H21F17O4
InChI InChI=1S/C26H21F17O4/c27-19(28,20(29,30)21(31,32)22(33,34)23(35,36)24(37,38)25(39,40)26(41,42)43)9-1-2-15-10-14(13-3-6-16(45)7-4-13)5-8-18(15)47-12-17(46)11-44/h3-8,10,17,44-46H,1-2,9,11-12H2
InChIKey DHECFDXZIXUOFG-UHFFFAOYSA-N
Molecular Weight 720.423 g/mol
SMILES C1(O)=CC=C(C2=CC(=C(OCC(O)CO)C=C2)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