1-(4-methylphenyl)-4-{4-[(4-nitrophenoxy)acetyl]-1-piperazinyl}phthalazine

SpectraBase Compound ID	DijHN4P1U3c
InChI	InChI=1S/C27H25N5O4/c1-19-6-8-20(9-7-19)26-23-4-2-3-5-24(23)27(29-28-26)31-16-14-30(15-17-31)25(33)18-36-22-12-10-21(11-13-22)32(34)35/h2-13H,14-18H2,1H3
InChIKey	VSQYBMCHXHTBMP-UHFFFAOYSA-N Google Search
Mol Weight	483.53 g/mol
Molecular Formula	C27H25N5O4
Exact Mass	483.190654 g/mol

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SpectraBase Spectrum ID	LItUiJHOurt
Name	1-(4-methylphenyl)-4-{4-[(4-nitrophenoxy)acetyl]-1-piperazinyl}phthalazine
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/C27H25N5O4/c1-19-6-8-20(9-7-19)26-23-4-2-3-5-24(23)27(29-28-26)31-16-14-30(15-17-31)25(33)18-36-22-12-10-21(11-13-22)32(34)35/h2-13H,14-18H2,1H3
InChIKey	VSQYBMCHXHTBMP-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_16245
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: D22701; Labnumber: RRAZ-1184; SBI_ID: SBI-016248
Synonyms	2-{4-[4-(4-methylphenyl)-1-phthalazinyl]-1-piperazinyl}-2-oxoethyl 4-nitrophenyl ether
Temperature	318 °C