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3-[4-(4-Chlorophenyl)-1-piperazinyl]-1-(3-methylphenyl)-2,5-pyrrolidinedione

View entire compound with spectra: 2 NMR

3-[4-(4-Chlorophenyl)-1-piperazinyl]-1-(3-methylphenyl)-2,5-pyrrolidinedione
SpectraBase Compound ID 2ClPjqfASPV
InChI InChI=1S/C21H22ClN3O2/c1-15-3-2-4-18(13-15)25-20(26)14-19(21(25)27)24-11-9-23(10-12-24)17-7-5-16(22)6-8-17/h2-8,13,19H,9-12,14H2,1H3
InChIKey XZDKYVBBJNVCKC-UHFFFAOYSA-N
Mol Weight 383.88 g/mol
Molecular Formula C21H22ClN3O2
Exact Mass 383.140055 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JybXf6tsIcY
Name 3-[4-(4-Chlorophenyl)-1-piperazinyl]-1-(3-methylphenyl)-2,5-pyrrolidinedione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.140054658 u
Formula C21H22ClN3O2
InChI InChI=1S/C21H22ClN3O2/c1-15-3-2-4-18(13-15)25-20(26)14-19(21(25)27)24-11-9-23(10-12-24)17-7-5-16(22)6-8-17/h2-8,13,19H,9-12,14H2,1H3
InChIKey XZDKYVBBJNVCKC-UHFFFAOYSA-N
Molecular Weight 383.879 g/mol
SMILES CC=1C=C(N2C(C(N3CCN(CC3)C3=CC=C(C=C3)Cl)CC2=O)=O)C=CC1