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1-(3-Bromophenyl)-3-(4-phenyl-1-piperazinyl)-2,5-pyrrolidinedione

View entire compound with spectra: 2 NMR

1-(3-Bromophenyl)-3-(4-phenyl-1-piperazinyl)-2,5-pyrrolidinedione
SpectraBase Compound ID BIGraISQeBe
InChI InChI=1S/C20H20BrN3O2/c21-15-5-4-8-17(13-15)24-19(25)14-18(20(24)26)23-11-9-22(10-12-23)16-6-2-1-3-7-16/h1-8,13,18H,9-12,14H2
InChIKey OQBMOLNUXUAYSH-UHFFFAOYSA-N
Mol Weight 414.3 g/mol
Molecular Formula C20H20BrN3O2
Exact Mass 413.07389 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2KZwpqRi7nO
Name 1-(3-Bromophenyl)-3-(4-phenyl-1-piperazinyl)-2,5-pyrrolidinedione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 413.073889894 u
Formula C20H20BrN3O2
InChI InChI=1S/C20H20BrN3O2/c21-15-5-4-8-17(13-15)24-19(25)14-18(20(24)26)23-11-9-22(10-12-23)16-6-2-1-3-7-16/h1-8,13,18H,9-12,14H2
InChIKey OQBMOLNUXUAYSH-UHFFFAOYSA-N
Molecular Weight 414.303 g/mol
SMILES C=1C=CC(N2CCN(C3C(N(C(C3)=O)C3=CC(Br)=CC=C3)=O)CC2)=CC1