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Phthalic acid, 2-bromo-4-fluorophenyl 4-methoxyphenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-bromo-4-fluorophenyl 4-methoxyphenyl ester
SpectraBase Compound ID ENtHvoDEX5Q
InChI InChI=1S/C21H14BrFO5/c1-26-14-7-9-15(10-8-14)27-20(24)16-4-2-3-5-17(16)21(25)28-19-11-6-13(23)12-18(19)22/h2-12H,1H3
InChIKey HIIYOLOVGGVDJU-UHFFFAOYSA-N
Mol Weight 445.24 g/mol
Molecular Formula C21H14BrFO5
Exact Mass 444.000865 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8dYHrk7giMu
Name Phthalic acid, 2-bromo-4-fluorophenyl 4-methoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 444.000864709 u
Formula C21H14BrFO5
InChI InChI=1S/C21H14BrFO5/c1-26-14-7-9-15(10-8-14)27-20(24)16-4-2-3-5-17(16)21(25)28-19-11-6-13(23)12-18(19)22/h2-12H,1H3
InChIKey HIIYOLOVGGVDJU-UHFFFAOYSA-N
Molecular Weight 445.240 g/mol
SMILES C(OC1=CC=C(C=C1Br)F)(=O)C1=C(C=CC=C1)C(OC1=CC=C(OC)C=C1)=O