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3-(4-Benzhydryl-1-piperazinyl)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-pyrrolidinedione

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3-(4-Benzhydryl-1-piperazinyl)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-pyrrolidinedione
SpectraBase Compound ID BLDYr7oyRrN
InChI InChI=1S/C28H25ClF3N3O2/c29-23-12-11-21(17-22(23)28(30,31)32)35-25(36)18-24(27(35)37)33-13-15-34(16-14-33)26(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17,24,26H,13-16,18H2
InChIKey FRFJJDVKAIXDGI-UHFFFAOYSA-N
Mol Weight 527.98 g/mol
Molecular Formula C28H25ClF3N3O2
Exact Mass 527.158739 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7iboyVrPh3O
Name 3-(4-Benzhydryl-1-piperazinyl)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-pyrrolidinedione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 527.158739244 u
Formula C28H25ClF3N3O2
InChI InChI=1S/C28H25ClF3N3O2/c29-23-12-11-21(17-22(23)28(30,31)32)35-25(36)18-24(27(35)37)33-13-15-34(16-14-33)26(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17,24,26H,13-16,18H2
InChIKey FRFJJDVKAIXDGI-UHFFFAOYSA-N
Molecular Weight 527.975 g/mol
SMILES C=1C=CC(C(N2CCN(C3C(N(C(C3)=O)C3=CC(C(F)(F)F)=C(C=C3)Cl)=O)CC2)C2=CC=CC=C2)=CC1