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Phthalic acid, 3,5-difluorophenyl 4-isopropylphenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3,5-difluorophenyl 4-isopropylphenyl ester
SpectraBase Compound ID 7rBqcsCrOzo
InChI InChI=1S/C23H18F2O4/c1-14(2)15-7-9-18(10-8-15)28-22(26)20-5-3-4-6-21(20)23(27)29-19-12-16(24)11-17(25)13-19/h3-14H,1-2H3
InChIKey MVQGRLIVLYXDDG-UHFFFAOYSA-N
Mol Weight 396.39 g/mol
Molecular Formula C23H18F2O4
Exact Mass 396.117315 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L9iuCoO7wNF
Name Phthalic acid, 3,5-difluorophenyl 4-isopropylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.117315382 u
Formula C23H18F2O4
InChI InChI=1S/C23H18F2O4/c1-14(2)15-7-9-18(10-8-15)28-22(26)20-5-3-4-6-21(20)23(27)29-19-12-16(24)11-17(25)13-19/h3-14H,1-2H3
InChIKey MVQGRLIVLYXDDG-UHFFFAOYSA-N
Molecular Weight 396.390 g/mol
SMILES C1=C(C(=CC=C1)C(OC1=CC(=CC(=C1)F)F)=O)C(OC1=CC=C(C=C1)C(C)C)=O