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3-(4-Benzoyl-1-piperazinyl)-1-(3,4-dichlorophenyl)-2,5-pyrrolidinedione

View entire compound with spectra: 2 NMR

3-(4-Benzoyl-1-piperazinyl)-1-(3,4-dichlorophenyl)-2,5-pyrrolidinedione
SpectraBase Compound ID HsLUmKNcC0a
InChI InChI=1S/C21H19Cl2N3O3/c22-16-7-6-15(12-17(16)23)26-19(27)13-18(21(26)29)24-8-10-25(11-9-24)20(28)14-4-2-1-3-5-14/h1-7,12,18H,8-11,13H2
InChIKey SMCDCJKEWHHGAJ-UHFFFAOYSA-N
Mol Weight 432.31 g/mol
Molecular Formula C21H19Cl2N3O3
Exact Mass 431.080347 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GVRW8ZPnwnB
Name 3-(4-Benzoyl-1-piperazinyl)-1-(3,4-dichlorophenyl)-2,5-pyrrolidinedione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.080346881 u
Formula C21H19Cl2N3O3
InChI InChI=1S/C21H19Cl2N3O3/c22-16-7-6-15(12-17(16)23)26-19(27)13-18(21(26)29)24-8-10-25(11-9-24)20(28)14-4-2-1-3-5-14/h1-7,12,18H,8-11,13H2
InChIKey SMCDCJKEWHHGAJ-UHFFFAOYSA-N
Molecular Weight 432.307 g/mol
SMILES C1=CC=C(C(N2CCN(C3C(N(C(C3)=O)C3=CC(Cl)=C(C=C3)Cl)=O)CC2)=O)C=C1