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

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1-(3-bromobenzyl)-4-(4,5-dimethoxy-2-nitrobenzyl)piperazinediium oxalate
SpectraBase Compound ID 98ljV1IxQdh
InChI InChI=1S/C20H24BrN3O4.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 IYVNILJDFARBOE-UHFFFAOYSA-N
Mol Weight 540.37 g/mol
Molecular Formula C22H26BrN3O8
Exact Mass 539.090328 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 48y31pQNqgw
Name 1-(3-bromobenzyl)-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/C20H24BrN3O4.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 IYVNILJDFARBOE-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17042
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/9030016; UBI_ID: UBI-017045
Temperature 313 °C