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2,5-Pyrrolidinedione, 1-[4-[(4-phenyl-1-piperazinyl)carbonyl]phenyl]-
SpectraBase Compound ID E6LdeK2Lr6m
InChI InChI=1S/C21H21N3O3/c25-19-10-11-20(26)24(19)18-8-6-16(7-9-18)21(27)23-14-12-22(13-15-23)17-4-2-1-3-5-17/h1-9H,10-15H2
InChIKey AJDNKVUWMKDAJW-UHFFFAOYSA-N
Mol Weight 363.42 g/mol
Molecular Formula C21H21N3O3
Exact Mass 363.158292 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JZu5TE3tf99
Name 2,5-Pyrrolidinedione, 1-[4-[(4-phenyl-1-piperazinyl)carbonyl]phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 363.158291545 u
Formula C21H21N3O3
InChI InChI=1S/C21H21N3O3/c25-19-10-11-20(26)24(19)18-8-6-16(7-9-18)21(27)23-14-12-22(13-15-23)17-4-2-1-3-5-17/h1-9H,10-15H2
InChIKey AJDNKVUWMKDAJW-UHFFFAOYSA-N
Molecular Weight 363.417 g/mol
SMILES C=1C=CC(N2CCN(C(C3=CC=C(N4C(CCC4=O)=O)C=C3)=O)CC2)=CC1