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Terephthalic acid, 2,2,3,4,4,4-hexafluorobutyl undecyl ester

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Terephthalic acid, 2,2,3,4,4,4-hexafluorobutyl undecyl ester
SpectraBase Compound ID 97FyxkMGAxE
InChI InChI=1S/C23H30F6O4/c1-2-3-4-5-6-7-8-9-10-15-32-19(30)17-11-13-18(14-12-17)20(31)33-16-22(25,26)21(24)23(27,28)29/h11-14,21H,2-10,15-16H2,1H3/t21-/m0/s1
InChIKey GITHLSUDMPWXIN-NRFANRHFSA-N
Mol Weight 484.48 g/mol
Molecular Formula C23H30F6O4
Exact Mass 484.204828 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3hxVS7tUV9x
Name Terephthalic acid, 2,2,3,4,4,4-hexafluorobutyl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 484.204828420 u
Formula C23H30F6O4
InChI InChI=1S/C23H30F6O4/c1-2-3-4-5-6-7-8-9-10-15-32-19(30)17-11-13-18(14-12-17)20(31)33-16-22(25,26)21(24)23(27,28)29/h11-14,21H,2-10,15-16H2,1H3/t21-/m0/s1
InChIKey GITHLSUDMPWXIN-NRFANRHFSA-N
Molecular Weight 484.479 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCCCCCCC)=O)C(OCC([C@@](C(F)(F)F)(F)[H])(F)F)=O