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benzoic acid, 4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, 2-(4-chlorophenyl)-2-oxoethyl ester

View entire compound with spectra: 2 NMR

benzoic acid, 4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, 2-(4-chlorophenyl)-2-oxoethyl ester
SpectraBase Compound ID 5okkdDJggLB
InChI InChI=1S/C23H14ClNO5/c24-16-9-5-14(6-10-16)20(26)13-30-23(29)15-7-11-17(12-8-15)25-21(27)18-3-1-2-4-19(18)22(25)28/h1-12H,13H2
InChIKey HJHVNLAEERHDIY-UHFFFAOYSA-N
Mol Weight 419.82 g/mol
Molecular Formula C23H14ClNO5
Exact Mass 419.05605 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1U7hoHdfp1k
Name Benzoic acid, 4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, 2-(4-chlorophenyl)-2-oxoethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.056050250 u
Formula C23H14ClNO5
InChI InChI=1S/C23H14ClNO5/c24-16-9-5-14(6-10-16)20(26)13-30-23(29)15-7-11-17(12-8-15)25-21(27)18-3-1-2-4-19(18)22(25)28/h1-12H,13H2
InChIKey HJHVNLAEERHDIY-UHFFFAOYSA-N
Molecular Weight 419.820 g/mol
SMILES C=1C=C2C(N(C(C2=CC1)=O)C=1C=CC(C(OCC(C2=CC=C(C=C2)Cl)=O)=O)=CC1)=O