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

View entire compound with spectra: 1 NMR, and 1 FTIR

Succinic acid, di(1-phenyl-2,2,2-trifluoroethyl) ester
SpectraBase Compound ID 2olt0hsUCcS
InChI InChI=1S/C20H16F6O4/c21-19(22,23)17(13-7-3-1-4-8-13)29-15(27)11-12-16(28)30-18(20(24,25)26)14-9-5-2-6-10-14/h1-10,17-18H,11-12H2
InChIKey KWZQDZZHVIDKIU-UHFFFAOYSA-N
Mol Weight 434.33 g/mol
Molecular Formula C20H16F6O4
Exact Mass 434.095278 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ltMBKbDI6W
Name Succinic acid, di(1-phenyl-2,2,2-trifluoroethyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 434.095277969 u
Formula C20H16F6O4
InChI InChI=1S/C20H16F6O4/c21-19(22,23)17(13-7-3-1-4-8-13)29-15(27)11-12-16(28)30-18(20(24,25)26)14-9-5-2-6-10-14/h1-10,17-18H,11-12H2
InChIKey KWZQDZZHVIDKIU-UHFFFAOYSA-N
Molecular Weight 434.334 g/mol
SMILES C(CCC(OC(C(F)(F)F)C1=CC=CC=C1)=O)(OC(C(F)(F)F)C1=CC=CC=C1)=O