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1-(5-bromo-2-methoxybenzyl)-4-(4-pyridinylmethyl)piperazinediium

View entire compound with spectra: 1 NMR

1-(5-bromo-2-methoxybenzyl)-4-(4-pyridinylmethyl)piperazinediium
SpectraBase Compound ID GUig1AWoJqp
InChI InChI=1S/C18H22BrN3O/c1-23-18-3-2-17(19)12-16(18)14-22-10-8-21(9-11-22)13-15-4-6-20-7-5-15/h2-7,12H,8-11,13-14H2,1H3/p+2
InChIKey FQOXTPHWNICVAQ-UHFFFAOYSA-P
Mol Weight 378.31 g/mol
Molecular Formula C18H24BrN3O
Exact Mass 377.110275 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9WdjkdczCqM
Name 1-(5-bromo-2-methoxybenzyl)-4-(4-pyridinylmethyl)piperazinediium
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/C18H22BrN3O/c1-23-18-3-2-17(19)12-16(18)14-22-10-8-21(9-11-22)13-15-4-6-20-7-5-15/h2-7,12H,8-11,13-14H2,1H3/p+2
InChIKey FQOXTPHWNICVAQ-UHFFFAOYSA-P
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13680
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/9311339; UBI_ID: UBI-013683
Temperature 308 °C