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1H-isoindole-5-carboxylic acid, 2-[3-[(4-bromobenzoyl)amino]phenyl]-2,3-dihydro-1,3-dioxo-, 2-(3,4-dimethylphenyl)-2-oxoethyl ester

View entire compound with spectra: 2 NMR

1H-isoindole-5-carboxylic acid, 2-[3-[(4-bromobenzoyl)amino]phenyl]-2,3-dihydro-1,3-dioxo-, 2-(3,4-dimethylphenyl)-2-oxoethyl ester
SpectraBase Compound ID IA3R5Ddl5Yz
InChI InChI=1S/C32H23BrN2O6/c1-18-6-7-21(14-19(18)2)28(36)17-41-32(40)22-10-13-26-27(15-22)31(39)35(30(26)38)25-5-3-4-24(16-25)34-29(37)20-8-11-23(33)12-9-20/h3-16H,17H2,1-2H3,(H,34,37)
InChIKey DZNHZNNSLUOENH-UHFFFAOYSA-N
Mol Weight 611.4 g/mol
Molecular Formula C32H23BrN2O6
Exact Mass 610.073949 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FZNwMlLNsVr
Name 1H-Isoindole-5-carboxylic acid, 2-[3-[(4-bromobenzoyl)amino]phenyl]-2,3-dihydro-1,3-dioxo-, 2-(3,4-dimethylphenyl)-2-oxoethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 610.073949463 u
Formula C32H23BrN2O6
InChI InChI=1S/C32H23BrN2O6/c1-18-6-7-21(14-19(18)2)28(36)17-41-32(40)22-10-13-26-27(15-22)31(39)35(30(26)38)25-5-3-4-24(16-25)34-29(37)20-8-11-23(33)12-9-20/h3-16H,17H2,1-2H3,(H,34,37)
InChIKey DZNHZNNSLUOENH-UHFFFAOYSA-N
SMILES N(C(C1=CC=C(C=C1)Br)=O)C=1C=C(N2C(C=3C=C(C(OCC(C4=CC(C)=C(C=C4)C)=O)=O)C=CC3C2=O)=O)C=CC1