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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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5iUtwJTU442
Name 2,5-pyrrolidinedione, 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(diphenylmethyl)-1-piperazinyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 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
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4602
Solvent DMSO-d6
Source Vendor ID: NMR/9302499; Lab Info: PE; Lab Number: PE-CFMK018