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Phthalic acid, di(4-trifluoromethylbenzyl) ester

View entire compound with spectra: 1 NMR

Phthalic acid, di(4-trifluoromethylbenzyl) ester
SpectraBase Compound ID AkD5uJPAumY
InChI InChI=1S/C24H16F6O4/c25-23(26,27)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)24(28,29)30/h1-12H,13-14H2
InChIKey PPANOGCGCUXZGR-UHFFFAOYSA-N
Mol Weight 482.38 g/mol
Molecular Formula C24H16F6O4
Exact Mass 482.095278 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1yPUynRUVyx
Name Phthalic acid, di(4-trifluoromethylbenzyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 482.095277969 u
Formula C24H16F6O4
InChI InChI=1S/C24H16F6O4/c25-23(26,27)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)24(28,29)30/h1-12H,13-14H2
InChIKey PPANOGCGCUXZGR-UHFFFAOYSA-N
Molecular Weight 482.378 g/mol
SMILES C1=CC=CC(=C1C(OCC1=CC=C(C(F)(F)F)C=C1)=O)C(OCC1=CC=C(C=C1)C(F)(F)F)=O