piperazinium, 1-benzoyl-4-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-, chloride

SpectraBase Compound ID	GmzV7jZilz2
InChI	InChI=1S/C21H25ClN2O3.ClH/c1-16-7-8-19(22)20(13-16)27-15-18(25)14-23-9-11-24(12-10-23)21(26)17-5-3-2-4-6-17;/h2-8,13,18,25H,9-12,14-15H2,1H3;1H
InChIKey	ISORVGUOVDWHNP-UHFFFAOYSA-N Google Search
Mol Weight	425.36 g/mol
Molecular Formula	C21H26Cl2N2O3
Exact Mass	424.132048 g/mol

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SpectraBase Spectrum ID	9PV13i3Kuxn
Name	piperazinium, 1-benzoyl-4-[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-, chloride
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/C21H25ClN2O3.ClH/c1-16-7-8-19(22)20(13-16)27-15-18(25)14-23-9-11-24(12-10-23)21(26)17-5-3-2-4-6-17;/h2-8,13,18,25H,9-12,14-15H2,1H3;1H
InChIKey	ISORVGUOVDWHNP-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_8163
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: NMR/11218233