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

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1-(3-bromo-4-methoxybenzyl)-4-(2-chlorobenzyl)piperazinediium oxalate
SpectraBase Compound ID 5DJ6vMCr07a
InChI InChI=1S/C19H22BrClN2O.C2H2O4/c1-24-19-7-6-15(12-17(19)20)13-22-8-10-23(11-9-22)14-16-4-2-3-5-18(16)21;3-1(4)2(5)6/h2-7,12H,8-11,13-14H2,1H3;(H,3,4)(H,5,6)
InChIKey WBKBQNQVDBXPIY-UHFFFAOYSA-N
Mol Weight 499.79 g/mol
Molecular Formula C21H24BrClN2O5
Exact Mass 498.055713 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1O77mW93NjA
Name 1-(3-bromo-4-methoxybenzyl)-4-(2-chlorobenzyl)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/C19H22BrClN2O.C2H2O4/c1-24-19-7-6-15(12-17(19)20)13-22-8-10-23(11-9-22)14-16-4-2-3-5-18(16)21;3-1(4)2(5)6/h2-7,12H,8-11,13-14H2,1H3;(H,3,4)(H,5,6)
InChIKey WBKBQNQVDBXPIY-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8443
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/9030541; UBI_ID: UBI-008446
Temperature 313 °C