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

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1-(1,3-benzodioxol-5-ylmethyl)-4-(4,5-dimethoxy-2-nitrobenzyl)piperazinediium oxalate
SpectraBase Compound ID 58mI5BBE7S8
InChI InChI=1S/C21H25N3O6.C2H2O4/c1-27-19-10-16(17(24(25)26)11-20(19)28-2)13-23-7-5-22(6-8-23)12-15-3-4-18-21(9-15)30-14-29-18;3-1(4)2(5)6/h3-4,9-11H,5-8,12-14H2,1-2H3;(H,3,4)(H,5,6)
InChIKey QLGUJWQJLDNFCX-UHFFFAOYSA-N
Mol Weight 505.48 g/mol
Molecular Formula C23H27N3O10
Exact Mass 505.169644 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GJ3sBo4O58q
Name 1-(1,3-benzodioxol-5-ylmethyl)-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/C21H25N3O6.C2H2O4/c1-27-19-10-16(17(24(25)26)11-20(19)28-2)13-23-7-5-22(6-8-23)12-15-3-4-18-21(9-15)30-14-29-18;3-1(4)2(5)6/h3-4,9-11H,5-8,12-14H2,1-2H3;(H,3,4)(H,5,6)
InChIKey QLGUJWQJLDNFCX-UHFFFAOYSA-N
NMR Offset 18.416
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_17054
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/9030274; UBI_ID: UBI-017057
Temperature 313 °C