1-(2,5-dimethoxybenzyl)-4-[4-(methylsulfanyl)benzyl]piperazinediium oxalate

SpectraBase Compound ID	JICsn7WBu8O
InChI	InChI=1S/C21H28N2O2S.C2H2O4/c1-24-19-6-9-21(25-2)18(14-19)16-23-12-10-22(11-13-23)15-17-4-7-20(26-3)8-5-17;3-1(4)2(5)6/h4-9,14H,10-13,15-16H2,1-3H3;(H,3,4)(H,5,6)
InChIKey	OZARPIGWMVJUGE-UHFFFAOYSA-N Google Search
Mol Weight	462.56 g/mol
Molecular Formula	C23H30N2O6S
Exact Mass	462.182458 g/mol

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SpectraBase Spectrum ID	mTYjGXvy6Y
Name	1-(2,5-dimethoxybenzyl)-4-[4-(methylsulfanyl)benzyl]piperazinediium oxalate
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C21H28N2O2S.C2H2O4/c1-24-19-6-9-21(25-2)18(14-19)16-23-12-10-22(11-13-23)15-17-4-7-20(26-3)8-5-17;3-1(4)2(5)6/h4-9,14H,10-13,15-16H2,1-3H3;(H,3,4)(H,5,6)
InChIKey	OZARPIGWMVJUGE-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_13013
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: UZI/9030635; UBI_ID: UBI-013016
Temperature	318 °C