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Terephthalic acid, di(4-trifluoromethoxybenzyl) ester

View entire compound with spectra: 1 NMR

Terephthalic acid, di(4-trifluoromethoxybenzyl) ester
SpectraBase Compound ID 6tzWCkXfUe7
InChI InChI=1S/C24H16F6O6/c25-23(26,27)35-19-9-1-15(2-10-19)13-33-21(31)17-5-7-18(8-6-17)22(32)34-14-16-3-11-20(12-4-16)36-24(28,29)30/h1-12H,13-14H2
InChIKey DWLQRKMEBGXRFF-UHFFFAOYSA-N
Mol Weight 514.38 g/mol
Molecular Formula C24H16F6O6
Exact Mass 514.085107 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EQyc5xbABVQ
Name Terephthalic acid, di(4-trifluoromethoxybenzyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 514.085107207 u
Formula C24H16F6O6
InChI InChI=1S/C24H16F6O6/c25-23(26,27)35-19-9-1-15(2-10-19)13-33-21(31)17-5-7-18(8-6-17)22(32)34-14-16-3-11-20(12-4-16)36-24(28,29)30/h1-12H,13-14H2
InChIKey DWLQRKMEBGXRFF-UHFFFAOYSA-N
Molecular Weight 514.376 g/mol
SMILES C1(=CC=C(C=C1)C(OCC1=CC=C(OC(F)(F)F)C=C1)=O)C(=O)OCC1=CC=C(C=C1)OC(F)(F)F