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2,5-Pyrrolidinedione, 1-(3-chlorophenyl)-3-[4-(diphenylmethyl)-1-piperazinyl]-

View entire compound with spectra: 2 NMR

2,5-Pyrrolidinedione, 1-(3-chlorophenyl)-3-[4-(diphenylmethyl)-1-piperazinyl]-
SpectraBase Compound ID 9pJLE2F8Awf
InChI InChI=1S/C27H26ClN3O2/c28-22-12-7-13-23(18-22)31-25(32)19-24(27(31)33)29-14-16-30(17-15-29)26(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18,24,26H,14-17,19H2
InChIKey STRJQOXQCHMZJQ-UHFFFAOYSA-N
Mol Weight 459.98 g/mol
Molecular Formula C27H26ClN3O2
Exact Mass 459.171355 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8mMe91Is3B8
Name 2,5-Pyrrolidinedione, 1-(3-chlorophenyl)-3-[4-(diphenylmethyl)-1-piperazinyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 459.171354787 u
Formula C27H26ClN3O2
InChI InChI=1S/C27H26ClN3O2/c28-22-12-7-13-23(18-22)31-25(32)19-24(27(31)33)29-14-16-30(17-15-29)26(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18,24,26H,14-17,19H2
InChIKey STRJQOXQCHMZJQ-UHFFFAOYSA-N
Molecular Weight 459.977 g/mol
SMILES C=1C=CC(C(N2CCN(C3C(N(C(C3)=O)C=3C=C(Cl)C=CC3)=O)CC2)C=2C=CC=CC2)=CC1