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

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Phthalic acid, 3,5-difluorophenyl 3-methylphenyl ester
SpectraBase Compound ID 4LeIF0Gg5Wm
InChI InChI=1S/C21H14F2O4/c1-13-5-4-6-16(9-13)26-20(24)18-7-2-3-8-19(18)21(25)27-17-11-14(22)10-15(23)12-17/h2-12H,1H3
InChIKey SDUPHOMQPHBNOM-UHFFFAOYSA-N
Mol Weight 368.34 g/mol
Molecular Formula C21H14F2O4
Exact Mass 368.086015 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kb9hH0mVsnx
Name Phthalic acid, 3,5-difluorophenyl 3-methylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 368.086015253 u
Formula C21H14F2O4
InChI InChI=1S/C21H14F2O4/c1-13-5-4-6-16(9-13)26-20(24)18-7-2-3-8-19(18)21(25)27-17-11-14(22)10-15(23)12-17/h2-12H,1H3
InChIKey SDUPHOMQPHBNOM-UHFFFAOYSA-N
Molecular Weight 368.336 g/mol
SMILES C1(=C(C=CC=C1)C(OC1=CC(=CC(=C1)F)F)=O)C(OC1=CC(C)=CC=C1)=O