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1-(2-bromobenzyl)-4-(2,5-dimethoxybenzyl)piperazinediium oxalate

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1-(2-bromobenzyl)-4-(2,5-dimethoxybenzyl)piperazinediium oxalate
SpectraBase Compound ID L3lDz3dIJBe
InChI InChI=1S/C20H25BrN2O2.C2H2O4/c1-24-18-7-8-20(25-2)17(13-18)15-23-11-9-22(10-12-23)14-16-5-3-4-6-19(16)21;3-1(4)2(5)6/h3-8,13H,9-12,14-15H2,1-2H3;(H,3,4)(H,5,6)
InChIKey AZVUTMCNNUNJMD-UHFFFAOYSA-N
Mol Weight 495.37 g/mol
Molecular Formula C22H27BrN2O6
Exact Mass 494.10525 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9sAmPqpJpGF
Name 1-(2-bromobenzyl)-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/C20H25BrN2O2.C2H2O4/c1-24-18-7-8-20(25-2)17(13-18)15-23-11-9-22(10-12-23)14-16-5-3-4-6-19(16)21;3-1(4)2(5)6/h3-8,13H,9-12,14-15H2,1-2H3;(H,3,4)(H,5,6)
InChIKey AZVUTMCNNUNJMD-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12975
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/9030174; UBI_ID: UBI-012978
Temperature 318 °C