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Phthalic acid, 2-bromo-4-fluorophenyl 3-methylphenyl ester

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Phthalic acid, 2-bromo-4-fluorophenyl 3-methylphenyl ester
SpectraBase Compound ID 6CXkXFdIwGr
InChI InChI=1S/C21H14BrFO4/c1-13-5-4-6-15(11-13)26-20(24)16-7-2-3-8-17(16)21(25)27-19-10-9-14(23)12-18(19)22/h2-12H,1H3
InChIKey WYCFOANLVQNXRA-UHFFFAOYSA-N
Mol Weight 429.24 g/mol
Molecular Formula C21H14BrFO4
Exact Mass 428.00595 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Oejh5kVYAz
Name Phthalic acid, 2-bromo-4-fluorophenyl 3-methylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 428.005950090 u
Formula C21H14BrFO4
InChI InChI=1S/C21H14BrFO4/c1-13-5-4-6-15(11-13)26-20(24)16-7-2-3-8-17(16)21(25)27-19-10-9-14(23)12-18(19)22/h2-12H,1H3
InChIKey WYCFOANLVQNXRA-UHFFFAOYSA-N
Molecular Weight 429.241 g/mol
SMILES C1(=C(C=CC=C1)C(OC1=CC=C(C=C1Br)F)=O)C(OC1=CC(C)=CC=C1)=O