methyl 4-{[4-(3-nitrobenzyl)-1-piperazinyl]methyl}phenyl sulfide oxalate

SpectraBase Compound ID	2dOuBglkTHE
InChI	InChI=1S/C19H23N3O2S.C2H2O4/c1-25-19-7-5-16(6-8-19)14-20-9-11-21(12-10-20)15-17-3-2-4-18(13-17)22(23)24;3-1(4)2(5)6/h2-8,13H,9-12,14-15H2,1H3;(H,3,4)(H,5,6)
InChIKey	AKPDUKSZKXGCNM-UHFFFAOYSA-N Google Search
Mol Weight	447.51 g/mol
Molecular Formula	C21H25N3O6S
Exact Mass	447.146407 g/mol

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SpectraBase Spectrum ID	HocIbhtDS8M
Name	methyl 4-{[4-(3-nitrobenzyl)-1-piperazinyl]methyl}phenyl sulfide 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/C19H23N3O2S.C2H2O4/c1-25-19-7-5-16(6-8-19)14-20-9-11-21(12-10-20)15-17-3-2-4-18(13-17)22(23)24;3-1(4)2(5)6/h2-8,13H,9-12,14-15H2,1H3;(H,3,4)(H,5,6)
InChIKey	AKPDUKSZKXGCNM-UHFFFAOYSA-N
NMR Offset	16.5281
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_8177
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/9029643; UBI_ID: UBI-008180
Temperature	308 °C