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

View entire compound with spectra: 2 NMR

1-(3-Chloro-4-methylphenyl)-3-(4-phenyl-1-piperazinyl)-2,5-pyrrolidinedione
SpectraBase Compound ID 3oveoBsCJCD
InChI InChI=1S/C21H22ClN3O2/c1-15-7-8-17(13-18(15)22)25-20(26)14-19(21(25)27)24-11-9-23(10-12-24)16-5-3-2-4-6-16/h2-8,13,19H,9-12,14H2,1H3
InChIKey HGZVCYVRGMYPNI-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 7pY5p0p10CB
Name 1-(3-Chloro-4-methylphenyl)-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 383.140054658 u
Formula C21H22ClN3O2
InChI InChI=1S/C21H22ClN3O2/c1-15-7-8-17(13-18(15)22)25-20(26)14-19(21(25)27)24-11-9-23(10-12-24)16-5-3-2-4-6-16/h2-8,13,19H,9-12,14H2,1H3
InChIKey HGZVCYVRGMYPNI-UHFFFAOYSA-N
Molecular Weight 383.879 g/mol
SMILES C=1C=CC(N2CCN(C3C(N(C(C3)=O)C3=CC(Cl)=C(C=C3)C)=O)CC2)=CC1