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

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1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dimethoxybenzyl)piperazinediium oxalate
SpectraBase Compound ID 1wDz51PONFQ
InChI InChI=1S/C21H26N2O4.C2H2O4/c1-24-18-4-6-19(25-2)17(12-18)14-23-9-7-22(8-10-23)13-16-3-5-20-21(11-16)27-15-26-20;3-1(4)2(5)6/h3-6,11-12H,7-10,13-15H2,1-2H3;(H,3,4)(H,5,6)
InChIKey OOSIBGLEKYGRFX-UHFFFAOYSA-N
Mol Weight 460.48 g/mol
Molecular Formula C23H28N2O8
Exact Mass 460.184566 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KBYrLcf3XWt
Name 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dimethoxybenzyl)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/C21H26N2O4.C2H2O4/c1-24-18-4-6-19(25-2)17(12-18)14-23-9-7-22(8-10-23)13-16-3-5-20-21(11-16)27-15-26-20;3-1(4)2(5)6/h3-6,11-12H,7-10,13-15H2,1-2H3;(H,3,4)(H,5,6)
InChIKey OOSIBGLEKYGRFX-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8472
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/9031116; UBI_ID: UBI-008475
Temperature 318 °C