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1H-isoindole-5-carboxylic acid, 2-(4-bromophenyl)-2,3-dihydro-1,3-dioxo-, 2-(4-bromophenyl)-2-oxoethyl ester

View entire compound with spectra: 2 NMR

1H-isoindole-5-carboxylic acid, 2-(4-bromophenyl)-2,3-dihydro-1,3-dioxo-, 2-(4-bromophenyl)-2-oxoethyl ester
SpectraBase Compound ID 3wWUm4NSKJA
InChI InChI=1S/C23H13Br2NO5/c24-15-4-1-13(2-5-15)20(27)12-31-23(30)14-3-10-18-19(11-14)22(29)26(21(18)28)17-8-6-16(25)7-9-17/h1-11H,12H2
InChIKey WEHRADHXYYTTAP-UHFFFAOYSA-N
Mol Weight 543.17 g/mol
Molecular Formula C23H13Br2NO5
Exact Mass 540.916049 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BTRJmvRJGXw
Name 1H-Isoindole-5-carboxylic acid, 2-(4-bromophenyl)-2,3-dihydro-1,3-dioxo-, 2-(4-bromophenyl)-2-oxoethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 540.916048518 u
Formula C23H13Br2NO5
InChI InChI=1S/C23H13Br2NO5/c24-15-4-1-13(2-5-15)20(27)12-31-23(30)14-3-10-18-19(11-14)22(29)26(21(18)28)17-8-6-16(25)7-9-17/h1-11H,12H2
InChIKey WEHRADHXYYTTAP-UHFFFAOYSA-N
Molecular Weight 543.167 g/mol
SMILES C=1C=C(C(COC(C2=CC=3C(N(C(C3C=C2)=O)C2=CC=C(C=C2)Br)=O)=O)=O)C=CC1Br