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1-(4-bromobenzyl)-4-(2,3,4-trimethoxybenzyl)piperazinediium oxalate

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1-(4-bromobenzyl)-4-(2,3,4-trimethoxybenzyl)piperazinediium oxalate
SpectraBase Compound ID 17oDD1TCVy2
InChI InChI=1S/C21H27BrN2O3.C2H2O4/c1-25-19-9-6-17(20(26-2)21(19)27-3)15-24-12-10-23(11-13-24)14-16-4-7-18(22)8-5-16;3-1(4)2(5)6/h4-9H,10-15H2,1-3H3;(H,3,4)(H,5,6)
InChIKey AMEPWCSBPBMLJQ-UHFFFAOYSA-N
Mol Weight 525.4 g/mol
Molecular Formula C23H29BrN2O7
Exact Mass 524.115814 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D52rfoKEJPp
Name 1-(4-bromobenzyl)-4-(2,3,4-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/C21H27BrN2O3.C2H2O4/c1-25-19-9-6-17(20(26-2)21(19)27-3)15-24-12-10-23(11-13-24)14-16-4-7-18(22)8-5-16;3-1(4)2(5)6/h4-9H,10-15H2,1-3H3;(H,3,4)(H,5,6)
InChIKey AMEPWCSBPBMLJQ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17094
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/9031094; UBI_ID: UBI-017097
Temperature 308 °C