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

View entire compound with spectra: 1 NMR

1-(4-nitrobenzyl)-4-(3,4,5-trimethoxybenzyl)piperazinediium oxalate
SpectraBase Compound ID IkbQAVyXhCW
InChI InChI=1S/C21H27N3O5.C2H2O4/c1-27-19-12-17(13-20(28-2)21(19)29-3)15-23-10-8-22(9-11-23)14-16-4-6-18(7-5-16)24(25)26;3-1(4)2(5)6/h4-7,12-13H,8-11,14-15H2,1-3H3;(H,3,4)(H,5,6)
InChIKey LIFAGGCAAMWREY-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 FTqpLh4hzMk
Name 1-(4-nitrobenzyl)-4-(3,4,5-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/c1-27-19-12-17(13-20(28-2)21(19)29-3)15-23-10-8-22(9-11-23)14-16-4-6-18(7-5-16)24(25)26;3-1(4)2(5)6/h4-7,12-13H,8-11,14-15H2,1-3H3;(H,3,4)(H,5,6)
InChIKey LIFAGGCAAMWREY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17088
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/9030997; UBI_ID: UBI-017091
Temperature 318 °C