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

View entire compound with spectra: 1 NMR

Phthalic acid, 3-chlorophenyl 3,5-difluorophenyl ester
SpectraBase Compound ID 3rL1fHqvIeK
InChI InChI=1S/C20H11ClF2O4/c21-12-4-3-5-15(8-12)26-19(24)17-6-1-2-7-18(17)20(25)27-16-10-13(22)9-14(23)11-16/h1-11H
InChIKey AOPROVUMEWONHX-UHFFFAOYSA-N
Mol Weight 388.75 g/mol
Molecular Formula C20H11ClF2O4
Exact Mass 388.031393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KQKTubShLZ2
Name Phthalic acid, 3-chlorophenyl 3,5-difluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 388.031392856 u
Formula C20H11ClF2O4
InChI InChI=1S/C20H11ClF2O4/c21-12-4-3-5-15(8-12)26-19(24)17-6-1-2-7-18(17)20(25)27-16-10-13(22)9-14(23)11-16/h1-11H
InChIKey AOPROVUMEWONHX-UHFFFAOYSA-N
Molecular Weight 388.754 g/mol
SMILES C1=C(C=C(C=C1)Cl)OC(=O)C1=C(C=CC=C1)C(OC1=CC(=CC(=C1)F)F)=O