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Glutaric acid, di(1-phenyl-2,2,2-trifluoroethyl) ester

View entire compound with spectra: 1 NMR

Glutaric acid, di(1-phenyl-2,2,2-trifluoroethyl) ester
SpectraBase Compound ID 55YMozEVJ64
InChI InChI=1S/C21H18F6O4/c22-20(23,24)18(14-8-3-1-4-9-14)30-16(28)12-7-13-17(29)31-19(21(25,26)27)15-10-5-2-6-11-15/h1-6,8-11,18-19H,7,12-13H2
InChIKey FWOJYBOWTLUQGV-UHFFFAOYSA-N
Mol Weight 448.36 g/mol
Molecular Formula C21H18F6O4
Exact Mass 448.110928 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8MZUckx88Ky
Name Glutaric acid, di(1-phenyl-2,2,2-trifluoroethyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 448.110928034 u
Formula C21H18F6O4
InChI InChI=1S/C21H18F6O4/c22-20(23,24)18(14-8-3-1-4-9-14)30-16(28)12-7-13-17(29)31-19(21(25,26)27)15-10-5-2-6-11-15/h1-6,8-11,18-19H,7,12-13H2
InChIKey FWOJYBOWTLUQGV-UHFFFAOYSA-N
Molecular Weight 448.361 g/mol
SMILES C(OC(C(F)(F)F)C1=CC=CC=C1)(=O)CCCC(OC(C(F)(F)F)C1=CC=CC=C1)=O