4-[4-(4-benzyl-1-piperazinyl)-3-nitrophenyl]-1(2H)-phthalazinone

SpectraBase Compound ID	GFF56XqGO3B
InChI	InChI=1S/C25H23N5O3/c31-25-21-9-5-4-8-20(21)24(26-27-25)19-10-11-22(23(16-19)30(32)33)29-14-12-28(13-15-29)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,27,31)
InChIKey	CLQXQJIEXFBTMW-UHFFFAOYSA-N Google Search
Mol Weight	441.49 g/mol
Molecular Formula	C25H23N5O3
Exact Mass	441.18009 g/mol

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SpectraBase Spectrum ID	ASB2fVE7Hum
Name	4-[4-(4-benzyl-1-piperazinyl)-3-nitrophenyl]-1(2H)-phthalazinone
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/C25H23N5O3/c31-25-21-9-5-4-8-20(21)24(26-27-25)19-10-11-22(23(16-19)30(32)33)29-14-12-28(13-15-29)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,27,31)
InChIKey	CLQXQJIEXFBTMW-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_15985
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: D09519; Labnumber: RRAZ1-3339; SBI_ID: SBI-015988
Temperature	318 °C