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1-(3-bromo-4-methoxybenzyl)-4-(2-methylbenzyl)piperazinediium oxalate

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1-(3-bromo-4-methoxybenzyl)-4-(2-methylbenzyl)piperazinediium oxalate
SpectraBase Compound ID JkJGuHDJV6h
InChI InChI=1S/C20H25BrN2O.C2H2O4/c1-16-5-3-4-6-18(16)15-23-11-9-22(10-12-23)14-17-7-8-20(24-2)19(21)13-17;3-1(4)2(5)6/h3-8,13H,9-12,14-15H2,1-2H3;(H,3,4)(H,5,6)
InChIKey HSWPMSVUWGGNEL-UHFFFAOYSA-N
Mol Weight 479.37 g/mol
Molecular Formula C22H27BrN2O5
Exact Mass 478.110335 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DcQvvirQXtL
Name 1-(3-bromo-4-methoxybenzyl)-4-(2-methylbenzyl)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/C20H25BrN2O.C2H2O4/c1-16-5-3-4-6-18(16)15-23-11-9-22(10-12-23)14-17-7-8-20(24-2)19(21)13-17;3-1(4)2(5)6/h3-8,13H,9-12,14-15H2,1-2H3;(H,3,4)(H,5,6)
InChIKey HSWPMSVUWGGNEL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12963
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/9030048; UBI_ID: UBI-012966
Temperature 318 °C