4-(3-{[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl}-4-methylphenyl)-2-methyl-1(2H)-phthalazinone

SpectraBase Compound ID	3t8zhuNf04E
InChI	InChI=1S/C22H26N4O4S/c1-16-7-8-17(21-18-5-3-4-6-19(18)22(28)24(2)23-21)15-20(16)31(29,30)26-11-9-25(10-12-26)13-14-27/h3-8,15,27H,9-14H2,1-2H3
InChIKey	LEAKXNAHNCOEFM-UHFFFAOYSA-N Google Search
Mol Weight	442.53 g/mol
Molecular Formula	C22H26N4O4S
Exact Mass	442.167477 g/mol

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SpectraBase Spectrum ID	18lxu3SRTgJ
Name	4-(3-{[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl}-4-methylphenyl)-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/C22H26N4O4S/c1-16-7-8-17(21-18-5-3-4-6-19(18)22(28)24(2)23-21)15-20(16)31(29,30)26-11-9-25(10-12-26)13-14-27/h3-8,15,27H,9-14H2,1-2H3
InChIKey	LEAKXNAHNCOEFM-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_16257
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: D22718; Labnumber: RRAZ1-3428; SBI_ID: SBI-016260
Temperature	318 °C