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1-(2,3-dimethoxybenzyl)-4-(3-nitrobenzyl)piperazinediium oxalate

View entire compound with spectra: 1 NMR

1-(2,3-dimethoxybenzyl)-4-(3-nitrobenzyl)piperazinediium oxalate
SpectraBase Compound ID E3z3PEPDReS
InChI InChI=1S/C20H25N3O4.C2H2O4/c1-26-19-8-4-6-17(20(19)27-2)15-22-11-9-21(10-12-22)14-16-5-3-7-18(13-16)23(24)25;3-1(4)2(5)6/h3-8,13H,9-12,14-15H2,1-2H3;(H,3,4)(H,5,6)
InChIKey GBEVTYRGXXVVLD-UHFFFAOYSA-N
Mol Weight 461.47 g/mol
Molecular Formula C22H27N3O8
Exact Mass 461.179815 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GHktGA7B7Jn
Name 1-(2,3-dimethoxybenzyl)-4-(3-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/C20H25N3O4.C2H2O4/c1-26-19-8-4-6-17(20(19)27-2)15-22-11-9-21(10-12-22)14-16-5-3-7-18(13-16)23(24)25;3-1(4)2(5)6/h3-8,13H,9-12,14-15H2,1-2H3;(H,3,4)(H,5,6)
InChIKey GBEVTYRGXXVVLD-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8433
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/9030392; UBI_ID: UBI-008436
Temperature 318 °C