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1-(4-methylbenzyl)-4-(3-pyridinylmethyl)piperazinediium oxalate
SpectraBase Compound ID 93YmN81FlTc
InChI InChI=1S/C18H23N3.C2H2O4/c1-16-4-6-17(7-5-16)14-20-9-11-21(12-10-20)15-18-3-2-8-19-13-18;3-1(4)2(5)6/h2-8,13H,9-12,14-15H2,1H3;(H,3,4)(H,5,6)
InChIKey FTHSUNFTAFIGMA-UHFFFAOYSA-N
Mol Weight 371.44 g/mol
Molecular Formula C20H25N3O4
Exact Mass 371.184506 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JHHzb9659Fl
Name 1-(4-methylbenzyl)-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/C18H23N3.C2H2O4/c1-16-4-6-17(7-5-16)14-20-9-11-21(12-10-20)15-18-3-2-8-19-13-18;3-1(4)2(5)6/h2-8,13H,9-12,14-15H2,1H3;(H,3,4)(H,5,6)
InChIKey FTHSUNFTAFIGMA-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13044
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/9031113; UBI_ID: UBI-013047
Temperature 318 °C