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Phthalic acid, 3,5-difluorophenyl 2-methylphenyl ester
SpectraBase Compound ID GZFumT9fVZ6
InChI InChI=1S/C21H14F2O4/c1-13-6-2-5-9-19(13)27-21(25)18-8-4-3-7-17(18)20(24)26-16-11-14(22)10-15(23)12-16/h2-12H,1H3
InChIKey OHWVWYBVBCVMSU-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 Jg8r49O2rN6
Name Phthalic acid, 3,5-difluorophenyl 2-methylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 368.086015253 u
Formula C21H14F2O4
InChI InChI=1S/C21H14F2O4/c1-13-6-2-5-9-19(13)27-21(25)18-8-4-3-7-17(18)20(24)26-16-11-14(22)10-15(23)12-16/h2-12H,1H3
InChIKey OHWVWYBVBCVMSU-UHFFFAOYSA-N
Molecular Weight 368.336 g/mol
SMILES C1(=C(C=CC=C1)C(OC1=CC=CC=C1C)=O)C(OC1=CC(=CC(=C1)F)F)=O