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

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1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3,4-trimethoxybenzyl)piperazinediium oxalate
SpectraBase Compound ID 973by4eGXTV
InChI InChI=1S/C22H28N2O5.C2H2O4/c1-25-19-7-5-17(21(26-2)22(19)27-3)14-24-10-8-23(9-11-24)13-16-4-6-18-20(12-16)29-15-28-18;3-1(4)2(5)6/h4-7,12H,8-11,13-15H2,1-3H3;(H,3,4)(H,5,6)
InChIKey AVBAIAWFVOJAOP-UHFFFAOYSA-N
Mol Weight 490.51 g/mol
Molecular Formula C24H30N2O9
Exact Mass 490.195131 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HueZU0arhvE
Name 1-(1,3-benzodioxol-5-ylmethyl)-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/C22H28N2O5.C2H2O4/c1-25-19-7-5-17(21(26-2)22(19)27-3)14-24-10-8-23(9-11-24)13-16-4-6-18-20(12-16)29-15-28-18;3-1(4)2(5)6/h4-7,12H,8-11,13-15H2,1-3H3;(H,3,4)(H,5,6)
InChIKey AVBAIAWFVOJAOP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8430
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/9030368; UBI_ID: UBI-008433
Temperature 318 °C