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1-(4-methylbenzyl)-4-(3-nitrobenzyl)piperazinediium oxalate

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1-(4-methylbenzyl)-4-(3-nitrobenzyl)piperazinediium oxalate
SpectraBase Compound ID CMQRxdZqV7z
InChI InChI=1S/C19H23N3O2.C2H2O4/c1-16-5-7-17(8-6-16)14-20-9-11-21(12-10-20)15-18-3-2-4-19(13-18)22(23)24;3-1(4)2(5)6/h2-8,13H,9-12,14-15H2,1H3;(H,3,4)(H,5,6)
InChIKey VJHRJEGQMGCJQC-UHFFFAOYSA-N
Mol Weight 415.45 g/mol
Molecular Formula C21H25N3O6
Exact Mass 415.174336 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID InYOAaiGPEy
Name 1-(4-methylbenzyl)-4-(3-nitrobenzyl)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/C19H23N3O2.C2H2O4/c1-16-5-7-17(8-6-16)14-20-9-11-21(12-10-20)15-18-3-2-4-19(13-18)22(23)24;3-1(4)2(5)6/h2-8,13H,9-12,14-15H2,1H3;(H,3,4)(H,5,6)
InChIKey VJHRJEGQMGCJQC-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8464
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/9030960; UBI_ID: UBI-008467
Temperature 313 °C