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Butanoic acid, 4-(diphenylamino)-4-oxo-, 2-(4-bromophenyl)-2-oxoethyl ester
SpectraBase Compound ID FGnvAo9P8OK
InChI InChI=1S/C24H20BrNO4/c25-19-13-11-18(12-14-19)22(27)17-30-24(29)16-15-23(28)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14H,15-17H2
InChIKey BAFDBVLVTBSWJJ-UHFFFAOYSA-N
Mol Weight 466.33 g/mol
Molecular Formula C24H20BrNO4
Exact Mass 465.057571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7y1CqtWJNkX
Name Butanoic acid, 4-(diphenylamino)-4-oxo-, 2-(4-bromophenyl)-2-oxoethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 465.057571124 u
Formula C24H20BrNO4
InChI InChI=1S/C24H20BrNO4/c25-19-13-11-18(12-14-19)22(27)17-30-24(29)16-15-23(28)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14H,15-17H2
InChIKey BAFDBVLVTBSWJJ-UHFFFAOYSA-N
Molecular Weight 466.331 g/mol
SMILES C1=CC=C(N(C(=O)CCC(OCC(C2=CC=C(C=C2)Br)=O)=O)C=2C=CC=CC2)C=C1