4-[4-nitro-2-({4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)phenyl]morpholine

SpectraBase Compound ID	AcFKYncj34S
InChI	InChI=1S/C22H22F3N5O6/c23-22(24,25)15-1-3-19(20(13-15)30(34)35)26-5-7-28(8-6-26)21(31)17-14-16(29(32)33)2-4-18(17)27-9-11-36-12-10-27/h1-4,13-14H,5-12H2
InChIKey	BOAKVQQGHGRPEQ-UHFFFAOYSA-N Google Search
Mol Weight	509.44 g/mol
Molecular Formula	C22H22F3N5O6
Exact Mass	509.152218 g/mol

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SpectraBase Spectrum ID	LaZafc8lXmR
Name	4-[4-nitro-2-({4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)phenyl]morpholine
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C22H22F3N5O6/c23-22(24,25)15-1-3-19(20(13-15)30(34)35)26-5-7-28(8-6-26)21(31)17-14-16(29(32)33)2-4-18(17)27-9-11-36-12-10-27/h1-4,13-14H,5-12H2
InChIKey	BOAKVQQGHGRPEQ-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_6225
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: NMR/11242614; Labnumber: LP-2501866; IOH_ID: IOH-006226