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1-(4-(methylthio)benzyl)-4-((2-nitrophenyl)sulfonyl)piperazine oxalate

View entire compound with spectra: 1 NMR

1-(4-(methylthio)benzyl)-4-((2-nitrophenyl)sulfonyl)piperazine oxalate
SpectraBase Compound ID HIYaShv3Ph4
InChI InChI=1S/C18H21N3O4S2.C2H2O4/c1-26-16-8-6-15(7-9-16)14-19-10-12-20(13-11-19)27(24,25)18-5-3-2-4-17(18)21(22)23;3-1(4)2(5)6/h2-9H,10-14H2,1H3;(H,3,4)(H,5,6)
InChIKey SZFUNEIFUPQQNE-UHFFFAOYSA-N
Mol Weight 497.54 g/mol
Molecular Formula C20H23N3O8S2
Exact Mass 497.092657 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I6XkswsOFfH
Name 1-(4-(methylthio)benzyl)-4-((2-nitrophenyl)sulfonyl)piperazine 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/C18H21N3O4S2.C2H2O4/c1-26-16-8-6-15(7-9-16)14-19-10-12-20(13-11-19)27(24,25)18-5-3-2-4-17(18)21(22)23;3-1(4)2(5)6/h2-9H,10-14H2,1H3;(H,3,4)(H,5,6)
InChIKey SZFUNEIFUPQQNE-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2792
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/11269568