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Phthalic acid, di(4-trifluoromethoxybenzyl) ester

View entire compound with spectra: 1 NMR

Phthalic acid, di(4-trifluoromethoxybenzyl) ester
SpectraBase Compound ID 1U8idMmU1s6
InChI InChI=1S/C24H16F6O6/c25-23(26,27)35-17-9-5-15(6-10-17)13-33-21(31)19-3-1-2-4-20(19)22(32)34-14-16-7-11-18(12-8-16)36-24(28,29)30/h1-12H,13-14H2
InChIKey OZSCVQWMOWYDAV-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 Ku3udPO86ux
Name Phthalic 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)35-17-9-5-15(6-10-17)13-33-21(31)19-3-1-2-4-20(19)22(32)34-14-16-7-11-18(12-8-16)36-24(28,29)30/h1-12H,13-14H2
InChIKey OZSCVQWMOWYDAV-UHFFFAOYSA-N
Molecular Weight 514.376 g/mol
SMILES C(OC1=CC=C(COC(C2=CC=CC=C2C(OCC2=CC=C(C=C2)OC(F)(F)F)=O)=O)C=C1)(F)(F)F