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acetic acid, [[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl]amino]-, 2-(4-bromophenyl)-2-oxoethyl ester

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acetic acid, [[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl]amino]-, 2-(4-bromophenyl)-2-oxoethyl ester
SpectraBase Compound ID ABgAyV4Pt8x
InChI InChI=1S/C20H15BrN2O6/c21-13-7-5-12(6-8-13)16(24)11-29-18(26)9-22-17(25)10-23-19(27)14-3-1-2-4-15(14)20(23)28/h1-8H,9-11H2,(H,22,25)
InChIKey MVIGKCNFOQLCAI-UHFFFAOYSA-N
Mol Weight 459.25 g/mol
Molecular Formula C20H15BrN2O6
Exact Mass 458.011349 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L4kdmLKSldj
Name Acetic acid, [[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl]amino]-, 2-(4-bromophenyl)-2-oxoethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.011349205 u
Formula C20H15BrN2O6
InChI InChI=1S/C20H15BrN2O6/c21-13-7-5-12(6-8-13)16(24)11-29-18(26)9-22-17(25)10-23-19(27)14-3-1-2-4-15(14)20(23)28/h1-8H,9-11H2,(H,22,25)
InChIKey MVIGKCNFOQLCAI-UHFFFAOYSA-N
Molecular Weight 459.252 g/mol
SMILES N(C(CN1C(C=2C=CC=CC2C1=O)=O)=O)CC(OCC(C1=CC=C(C=C1)Br)=O)=O