3-{5-[4-(2-chlorophenyl)-1-piperazinyl]-2,4-dinitroanilino}benzoic acid

SpectraBase Compound ID	FFqDmyFtswm
InChI	InChI=1S/C23H20ClN5O6/c24-17-6-1-2-7-19(17)26-8-10-27(11-9-26)21-13-18(20(28(32)33)14-22(21)29(34)35)25-16-5-3-4-15(12-16)23(30)31/h1-7,12-14,25H,8-11H2,(H,30,31)
InChIKey	ZUWLORWGEACNFF-UHFFFAOYSA-N Google Search
Mol Weight	497.9 g/mol
Molecular Formula	C23H20ClN5O6
Exact Mass	497.110211 g/mol

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SpectraBase Spectrum ID	1qZO24ihknh
Name	3-{5-[4-(2-chlorophenyl)-1-piperazinyl]-2,4-dinitroanilino}benzoic acid
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/C23H20ClN5O6/c24-17-6-1-2-7-19(17)26-8-10-27(11-9-26)21-13-18(20(28(32)33)14-22(21)29(34)35)25-16-5-3-4-15(12-16)23(30)31/h1-7,12-14,25H,8-11H2,(H,30,31)
InChIKey	ZUWLORWGEACNFF-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_13270
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: 102386; Labnumber: TKL2-081; VK_ID: VK-013275
Temperature	318 °C