1-(3-chlorobenzyl)-4-[4-(methylsulfanyl)benzyl]piperazinediium oxalate

SpectraBase Compound ID	Dn79vpWx7Lv
InChI	InChI=1S/C19H23ClN2S.C2H2O4/c1-23-19-7-5-16(6-8-19)14-21-9-11-22(12-10-21)15-17-3-2-4-18(20)13-17;3-1(4)2(5)6/h2-8,13H,9-12,14-15H2,1H3;(H,3,4)(H,5,6)
InChIKey	HWXCSQMXZOLNJL-UHFFFAOYSA-N Google Search
Mol Weight	436.95 g/mol
Molecular Formula	C21H25ClN2O4S
Exact Mass	436.122356 g/mol

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SpectraBase Spectrum ID	53DurCqQUPi
Name	1-(3-chlorobenzyl)-4-[4-(methylsulfanyl)benzyl]piperazinediium oxalate
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/C19H23ClN2S.C2H2O4/c1-23-19-7-5-16(6-8-19)14-21-9-11-22(12-10-21)15-17-3-2-4-18(20)13-17;3-1(4)2(5)6/h2-8,13H,9-12,14-15H2,1H3;(H,3,4)(H,5,6)
InChIKey	HWXCSQMXZOLNJL-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_12987
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/9030327; UBI_ID: UBI-012990
Temperature	318 °C