4-(5-nitro-2-{4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl}benzoyl)morpholine

SpectraBase Compound ID	I6s1bF2a3Ez
InChI	InChI=1S/C22H22F3N5O6/c23-22(24,25)15-1-3-19(20(13-15)30(34)35)27-7-5-26(6-8-27)18-4-2-16(29(32)33)14-17(18)21(31)28-9-11-36-12-10-28/h1-4,13-14H,5-12H2
InChIKey	IFJJYMUQZMRDKH-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	2ac777JA6Te
Name	4-(5-nitro-2-{4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl}benzoyl)morpholine
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 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)27-7-5-26(6-8-27)18-4-2-16(29(32)33)14-17(18)21(31)28-9-11-36-12-10-28/h1-4,13-14H,5-12H2
InChIKey	IFJJYMUQZMRDKH-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_6226
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/11242615; Labnumber: LP-2501867; IOH_ID: IOH-006227