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

SpectraBase Compound ID	BhMnjcwzY7I
InChI	InChI=1S/C27H26N4O3/c1-29-27(32)23-10-6-5-9-22(23)26(28-29)21-11-12-24(25(18-21)31(33)34)30-15-13-20(14-16-30)17-19-7-3-2-4-8-19/h2-12,18,20H,13-17H2,1H3
InChIKey	GRKYAVDSLFXMSU-UHFFFAOYSA-N Google Search
Mol Weight	454.53 g/mol
Molecular Formula	C27H26N4O3
Exact Mass	454.200491 g/mol

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SpectraBase Spectrum ID	5r6Lbl5myUS
Name	4-[4-(4-benzyl-1-piperidinyl)-3-nitrophenyl]-2-methyl-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/C27H26N4O3/c1-29-27(32)23-10-6-5-9-22(23)26(28-29)21-11-12-24(25(18-21)31(33)34)30-15-13-20(14-16-30)17-19-7-3-2-4-8-19/h2-12,18,20H,13-17H2,1H3
InChIKey	GRKYAVDSLFXMSU-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_16000
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: D09537; Labnumber: RRAZ1-3360; SBI_ID: SBI-016003
Temperature	318 °C