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

View entire compound with spectra: 1 NMR

1-(3-nitrobenzyl)-4-(2,4,5-trimethoxybenzyl)piperazinediium oxalate
SpectraBase Compound ID 5DonUb9fiom
InChI InChI=1S/C21H27N3O5.C2H2O4/c1-27-19-13-21(29-3)20(28-2)12-17(19)15-23-9-7-22(8-10-23)14-16-5-4-6-18(11-16)24(25)26;3-1(4)2(5)6/h4-6,11-13H,7-10,14-15H2,1-3H3;(H,3,4)(H,5,6)
InChIKey PLNILHJQRIBBQN-UHFFFAOYSA-N
Mol Weight 491.5 g/mol
Molecular Formula C23H29N3O9
Exact Mass 491.19038 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ezuw3fxwFvK
Name 1-(3-nitrobenzyl)-4-(2,4,5-trimethoxybenzyl)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/C21H27N3O5.C2H2O4/c1-27-19-13-21(29-3)20(28-2)12-17(19)15-23-9-7-22(8-10-23)14-16-5-4-6-18(11-16)24(25)26;3-1(4)2(5)6/h4-6,11-13H,7-10,14-15H2,1-3H3;(H,3,4)(H,5,6)
InChIKey PLNILHJQRIBBQN-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17044
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/9030028; UBI_ID: UBI-017047
Temperature 308 °C