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1-(3-chlorobenzyl)-4-(4,5-dimethoxy-2-nitrobenzyl)piperazinediium oxalate

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1-(3-chlorobenzyl)-4-(4,5-dimethoxy-2-nitrobenzyl)piperazinediium oxalate
SpectraBase Compound ID IcLfgoiEi49
InChI InChI=1S/C20H24ClN3O4.C2H2O4/c1-27-19-11-16(18(24(25)26)12-20(19)28-2)14-23-8-6-22(7-9-23)13-15-4-3-5-17(21)10-15;3-1(4)2(5)6/h3-5,10-12H,6-9,13-14H2,1-2H3;(H,3,4)(H,5,6)
InChIKey ZYKOTTSMFLDHPU-UHFFFAOYSA-N
Mol Weight 495.92 g/mol
Molecular Formula C22H26ClN3O8
Exact Mass 495.140843 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 25OlZhLtDPU
Name 1-(3-chlorobenzyl)-4-(4,5-dimethoxy-2-nitrobenzyl)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/C20H24ClN3O4.C2H2O4/c1-27-19-11-16(18(24(25)26)12-20(19)28-2)14-23-8-6-22(7-9-23)13-15-4-3-5-17(21)10-15;3-1(4)2(5)6/h3-5,10-12H,6-9,13-14H2,1-2H3;(H,3,4)(H,5,6)
InChIKey ZYKOTTSMFLDHPU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8450
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/9030633; UBI_ID: UBI-008453
Temperature 318 °C