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Benzenebutanoic acid, 4-chloro-gamma-oxo-, 2-(4-bromophenyl)-2-oxoethyl ester

View entire compound with spectra: 2 NMR

Benzenebutanoic acid, 4-chloro-gamma-oxo-, 2-(4-bromophenyl)-2-oxoethyl ester
SpectraBase Compound ID 4JRgrhMcAm8
InChI InChI=1S/C18H14BrClO4/c19-14-5-1-13(2-6-14)17(22)11-24-18(23)10-9-16(21)12-3-7-15(20)8-4-12/h1-8H,9-11H2
InChIKey AYAARMRBHXSFTD-UHFFFAOYSA-N
Mol Weight 409.66 g/mol
Molecular Formula C18H14BrClO4
Exact Mass 407.9764 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3b4ZmxIeMc8
Name Benzenebutanoic acid, 4-chloro-gamma-oxo-, 2-(4-bromophenyl)-2-oxoethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 407.976399627 u
Formula C18H14BrClO4
InChI InChI=1S/C18H14BrClO4/c19-14-5-1-13(2-6-14)17(22)11-24-18(23)10-9-16(21)12-3-7-15(20)8-4-12/h1-8H,9-11H2
InChIKey AYAARMRBHXSFTD-UHFFFAOYSA-N
Molecular Weight 409.663 g/mol
SMILES C(OCC(C1=CC=C(C=C1)Br)=O)(=O)CCC(C=1C=CC(=CC1)Cl)=O