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1-(3-methylbenzyl)-4-((4-nitrophenyl)sulfonyl)piperazine oxalate

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1-(3-methylbenzyl)-4-((4-nitrophenyl)sulfonyl)piperazine oxalate
SpectraBase Compound ID zpDm6N4DFk
InChI InChI=1S/C18H21N3O4S.C2H2O4/c1-15-3-2-4-16(13-15)14-19-9-11-20(12-10-19)26(24,25)18-7-5-17(6-8-18)21(22)23;3-1(4)2(5)6/h2-8,13H,9-12,14H2,1H3;(H,3,4)(H,5,6)
InChIKey XVNPXZOBWQKGCA-UHFFFAOYSA-N
Mol Weight 465.48 g/mol
Molecular Formula C20H23N3O8S
Exact Mass 465.120586 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3Pji5TxOblG
Name 1-(3-methylbenzyl)-4-((4-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/C18H21N3O4S.C2H2O4/c1-15-3-2-4-16(13-15)14-19-9-11-20(12-10-19)26(24,25)18-7-5-17(6-8-18)21(22)23;3-1(4)2(5)6/h2-8,13H,9-12,14H2,1H3;(H,3,4)(H,5,6)
InChIKey XVNPXZOBWQKGCA-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2815
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/11269594