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Phthalic acid, 3,5-difluorophenyl 2,6-dimethoxyphenyl ester
SpectraBase Compound ID 7sO17jC3psA
InChI InChI=1S/C22H16F2O6/c1-27-18-8-5-9-19(28-2)20(18)30-22(26)17-7-4-3-6-16(17)21(25)29-15-11-13(23)10-14(24)12-15/h3-12H,1-2H3
InChIKey SZAHQBWUGXZBJN-UHFFFAOYSA-N
Mol Weight 414.36 g/mol
Molecular Formula C22H16F2O6
Exact Mass 414.091495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5THxzFW736H
Name Phthalic acid, 3,5-difluorophenyl 2,6-dimethoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 414.091494555 u
Formula C22H16F2O6
InChI InChI=1S/C22H16F2O6/c1-27-18-8-5-9-19(28-2)20(18)30-22(26)17-7-4-3-6-16(17)21(25)29-15-11-13(23)10-14(24)12-15/h3-12H,1-2H3
InChIKey SZAHQBWUGXZBJN-UHFFFAOYSA-N
Molecular Weight 414.361 g/mol
SMILES C(OC1=C(C=CC=C1OC)OC)(=O)C1=C(C=CC=C1)C(OC1=CC(=CC(=C1)F)F)=O