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Phthalic acid, 3,5-difluorophenyl 3,4-dimethylphenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3,5-difluorophenyl 3,4-dimethylphenyl ester
SpectraBase Compound ID 8LeBHp29wR9
InChI InChI=1S/C22H16F2O4/c1-13-7-8-17(9-14(13)2)27-21(25)19-5-3-4-6-20(19)22(26)28-18-11-15(23)10-16(24)12-18/h3-12H,1-2H3
InChIKey MPPYLBQBSPZXGJ-UHFFFAOYSA-N
Mol Weight 382.36 g/mol
Molecular Formula C22H16F2O4
Exact Mass 382.101665 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IhJCzAUKnLw
Name Phthalic acid, 3,5-difluorophenyl 3,4-dimethylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.101665317 u
Formula C22H16F2O4
InChI InChI=1S/C22H16F2O4/c1-13-7-8-17(9-14(13)2)27-21(25)19-5-3-4-6-20(19)22(26)28-18-11-15(23)10-16(24)12-18/h3-12H,1-2H3
InChIKey MPPYLBQBSPZXGJ-UHFFFAOYSA-N
Molecular Weight 382.363 g/mol
SMILES C1(=C(C=CC=C1)C(OC1=CC(=C(C=C1)C)C)=O)C(OC1=CC(=CC(=C1)F)F)=O