3-[4-(4-chlorobenzyl)piperazino]-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-quinone

SpectraBase Compound ID	AIGWSVVDCyV
InChI	InChI=1S/C22H21ClF3N3O3/c23-16-3-1-15(2-4-16)14-27-9-11-28(12-10-27)19-13-20(30)29(21(19)31)17-5-7-18(8-6-17)32-22(24,25)26/h1-8,19H,9-14H2
InChIKey	YZOKDNPLBRUGAI-UHFFFAOYSA-N Google Search
Mol Weight	467.88 g/mol
Molecular Formula	C22H21ClF3N3O3
Exact Mass	467.122354 g/mol

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SpectraBase Spectrum ID	Katkc4aRanw
Name	2,5-pyrrolidinedione, 3-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-1-[4-(trifluoromethoxy)phenyl]-
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	467.122353734 u
Formula	C22H21ClF3N3O3
InChI	InChI=1S/C22H21ClF3N3O3/c23-16-3-1-15(2-4-16)14-27-9-11-28(12-10-27)19-13-20(30)29(21(19)31)17-5-7-18(8-6-17)32-22(24,25)26/h1-8,19H,9-14H2
InChIKey	YZOKDNPLBRUGAI-UHFFFAOYSA-N
Molecular Weight	467.876 g/mol
NMR Offset	17.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_6663
Solvent	DMSO-d6
Source	Vendor ID: NMR/10220237; Lab Info: PE; Lab Number: PE-0790206