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1-(4-Bromophenyl)-3-[4-(4-methoxyphenyl)-1-piperazinyl]-2,5-pyrrolidinedione

View entire compound with spectra: 2 NMR

1-(4-Bromophenyl)-3-[4-(4-methoxyphenyl)-1-piperazinyl]-2,5-pyrrolidinedione
SpectraBase Compound ID hZ38JS0fgU
InChI InChI=1S/C21H22BrN3O3/c1-28-18-8-6-16(7-9-18)23-10-12-24(13-11-23)19-14-20(26)25(21(19)27)17-4-2-15(22)3-5-17/h2-9,19H,10-14H2,1H3
InChIKey PEORLULAYJQAFF-UHFFFAOYSA-N
Mol Weight 444.33 g/mol
Molecular Formula C21H22BrN3O3
Exact Mass 443.084455 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DlaEPdLfSC3
Name 1-(4-Bromophenyl)-3-[4-(4-methoxyphenyl)-1-piperazinyl]-2,5-pyrrolidinedione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 443.084454577 u
Formula C21H22BrN3O3
InChI InChI=1S/C21H22BrN3O3/c1-28-18-8-6-16(7-9-18)23-10-12-24(13-11-23)19-14-20(26)25(21(19)27)17-4-2-15(22)3-5-17/h2-9,19H,10-14H2,1H3
InChIKey PEORLULAYJQAFF-UHFFFAOYSA-N
Molecular Weight 444.329 g/mol
SMILES COC=1C=CC(N2CCN(C3C(N(C(C3)=O)C3=CC=C(C=C3)Br)=O)CC2)=CC1