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1-(2-bromobenzyl)-4-(3-methoxybenzyl)piperazinediium oxalate

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1-(2-bromobenzyl)-4-(3-methoxybenzyl)piperazinediium oxalate
SpectraBase Compound ID 8DufuTmNALk
InChI InChI=1S/C19H23BrN2O.C2H2O4/c1-23-18-7-4-5-16(13-18)14-21-9-11-22(12-10-21)15-17-6-2-3-8-19(17)20;3-1(4)2(5)6/h2-8,13H,9-12,14-15H2,1H3;(H,3,4)(H,5,6)
InChIKey GWYTVWQLGNBLAX-UHFFFAOYSA-N
Mol Weight 465.34 g/mol
Molecular Formula C21H25BrN2O5
Exact Mass 464.094685 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7KFMNzbIUBI
Name 1-(2-bromobenzyl)-4-(3-methoxybenzyl)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/C19H23BrN2O.C2H2O4/c1-23-18-7-4-5-16(13-18)14-21-9-11-22(12-10-21)15-17-6-2-3-8-19(17)20;3-1(4)2(5)6/h2-8,13H,9-12,14-15H2,1H3;(H,3,4)(H,5,6)
InChIKey GWYTVWQLGNBLAX-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13030
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/9030895; UBI_ID: UBI-013033
Temperature 318 °C