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Diethylmalonic acid, di(4-trifluoromethylbenzyl) ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, di(4-trifluoromethylbenzyl) ester
SpectraBase Compound ID 402sDKO1yIy
InChI InChI=1S/C23H22F6O4/c1-3-21(4-2,19(30)32-13-15-5-9-17(10-6-15)22(24,25)26)20(31)33-14-16-7-11-18(12-8-16)23(27,28)29/h5-12H,3-4,13-14H2,1-2H3
InChIKey MCWGFITXDWIRIW-UHFFFAOYSA-N
Mol Weight 476.42 g/mol
Molecular Formula C23H22F6O4
Exact Mass 476.142228 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FbdluEAcM41
Name Diethylmalonic acid, di(4-trifluoromethylbenzyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 476.142228162 u
Formula C23H22F6O4
InChI InChI=1S/C23H22F6O4/c1-3-21(4-2,19(30)32-13-15-5-9-17(10-6-15)22(24,25)26)20(31)33-14-16-7-11-18(12-8-16)23(27,28)29/h5-12H,3-4,13-14H2,1-2H3
InChIKey MCWGFITXDWIRIW-UHFFFAOYSA-N
Molecular Weight 476.415 g/mol
SMILES CCC(C(OCC1=CC=C(C(F)(F)F)C=C1)=O)(C(OCC1=CC=C(C=C1)C(F)(F)F)=O)CC