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Phthalic acid, 3,5-difluorophenyl 3-phenylpropyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3,5-difluorophenyl 3-phenylpropyl ester
SpectraBase Compound ID BbxDlWOO0Q2
InChI InChI=1S/C23H18F2O4/c24-17-13-18(25)15-19(14-17)29-23(27)21-11-5-4-10-20(21)22(26)28-12-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-11,13-15H,6,9,12H2
InChIKey GALHAMBUSSTVTL-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 55q6lRmzq4T
Name Phthalic acid, 3,5-difluorophenyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.117315382 u
Formula C23H18F2O4
InChI InChI=1S/C23H18F2O4/c24-17-13-18(25)15-19(14-17)29-23(27)21-11-5-4-10-20(21)22(26)28-12-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-11,13-15H,6,9,12H2
InChIKey GALHAMBUSSTVTL-UHFFFAOYSA-N
Molecular Weight 396.390 g/mol
SMILES C(OCCCC1=CC=CC=C1)(=O)C1=C(C=CC=C1)C(OC1=CC(=CC(=C1)F)F)=O