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

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1-(2-bromobenzyl)-4-(3,4,5-trimethoxybenzyl)piperazinediium oxalate
SpectraBase Compound ID FSaAuUYAKCO
InChI InChI=1S/C21H27BrN2O3.C2H2O4/c1-25-19-12-16(13-20(26-2)21(19)27-3)14-23-8-10-24(11-9-23)15-17-6-4-5-7-18(17)22;3-1(4)2(5)6/h4-7,12-13H,8-11,14-15H2,1-3H3;(H,3,4)(H,5,6)
InChIKey LNIDHUAEMTVDCH-UHFFFAOYSA-N
Mol Weight 525.4 g/mol
Molecular Formula C23H29BrN2O7
Exact Mass 524.115814 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JOnq30D64VI
Name 1-(2-bromobenzyl)-4-(3,4,5-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/C21H27BrN2O3.C2H2O4/c1-25-19-12-16(13-20(26-2)21(19)27-3)14-23-8-10-24(11-9-23)15-17-6-4-5-7-18(17)22;3-1(4)2(5)6/h4-7,12-13H,8-11,14-15H2,1-3H3;(H,3,4)(H,5,6)
InChIKey LNIDHUAEMTVDCH-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12918
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/9029498; UBI_ID: UBI-012921
Temperature 318 °C