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1-(3-bromobenzyl)-4-(3-pyridinylmethyl)piperazinediium oxalate

View entire compound with spectra: 1 NMR

1-(3-bromobenzyl)-4-(3-pyridinylmethyl)piperazinediium oxalate
SpectraBase Compound ID B7JokPIzl7O
InChI InChI=1S/C17H20BrN3.C2H2O4/c18-17-5-1-3-15(11-17)13-20-7-9-21(10-8-20)14-16-4-2-6-19-12-16;3-1(4)2(5)6/h1-6,11-12H,7-10,13-14H2;(H,3,4)(H,5,6)
InChIKey MTJBHVZCPARVMM-UHFFFAOYSA-N
Mol Weight 436.31 g/mol
Molecular Formula C19H22BrN3O4
Exact Mass 435.079369 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HkNfzHf9R78
Name 1-(3-bromobenzyl)-4-(3-pyridinylmethyl)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/C17H20BrN3.C2H2O4/c18-17-5-1-3-15(11-17)13-20-7-9-21(10-8-20)14-16-4-2-6-19-12-16;3-1(4)2(5)6/h1-6,11-12H,7-10,13-14H2;(H,3,4)(H,5,6)
InChIKey MTJBHVZCPARVMM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8471
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/9031070; UBI_ID: UBI-008474
Temperature 318 °C