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Phthalic acid, di(2-(4-bromophenyl)ethyl) ester

View entire compound with spectra: 1 NMR

Phthalic acid, di(2-(4-bromophenyl)ethyl) ester
SpectraBase Compound ID OTImtxxCQf
InChI InChI=1S/C24H20Br2O4/c25-19-9-5-17(6-10-19)13-15-29-23(27)21-3-1-2-4-22(21)24(28)30-16-14-18-7-11-20(26)12-8-18/h1-12H,13-16H2
InChIKey GAOFTFQHEUFNSE-UHFFFAOYSA-N
Mol Weight 532.23 g/mol
Molecular Formula C24H20Br2O4
Exact Mass 529.972835 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EuBIe6tdABy
Name Phthalic acid, di(2-(4-bromophenyl)ethyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 529.972835120 u
Formula C24H20Br2O4
InChI InChI=1S/C24H20Br2O4/c25-19-9-5-17(6-10-19)13-15-29-23(27)21-3-1-2-4-22(21)24(28)30-16-14-18-7-11-20(26)12-8-18/h1-12H,13-16H2
InChIKey GAOFTFQHEUFNSE-UHFFFAOYSA-N
Molecular Weight 532.228 g/mol
SMILES C(C1=CC=CC=C1C(OCCC1=CC=C(C=C1)Br)=O)(OCCC1=CC=C(C=C1)Br)=O