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Terephthalic acid, di(1-(pentafluorophenyl)ethyl) ester

View entire compound with spectra: 1 NMR

Terephthalic acid, di(1-(pentafluorophenyl)ethyl) ester
SpectraBase Compound ID J2h8YbEicU4
InChI InChI=1S/C24H12F10O4/c1-7(11-13(25)17(29)21(33)18(30)14(11)26)37-23(35)9-3-5-10(6-4-9)24(36)38-8(2)12-15(27)19(31)22(34)20(32)16(12)28/h3-8H,1-2H3
InChIKey VTXNWHSDQPMDLB-UHFFFAOYSA-N
Mol Weight 554.34 g/mol
Molecular Formula C24H12F10O4
Exact Mass 554.05759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KDSEUGhb407
Name Terephthalic acid, di(1-(pentafluorophenyl)ethyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 554.057590492 u
Formula C24H12F10O4
InChI InChI=1S/C24H12F10O4/c1-7(11-13(25)17(29)21(33)18(30)14(11)26)37-23(35)9-3-5-10(6-4-9)24(36)38-8(2)12-15(27)19(31)22(34)20(32)16(12)28/h3-8H,1-2H3
InChIKey VTXNWHSDQPMDLB-UHFFFAOYSA-N
Molecular Weight 554.340 g/mol
SMILES C1(=CC=C(C=C1)C(OC(C1=C(C(=C(C(=C1F)F)F)F)F)C)=O)C(=O)OC(C1=C(C(=C(C(=C1F)F)F)F)F)C