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

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1-(3-chlorobenzyl)-4-(4-nitrobenzyl)piperazinediium oxalate
SpectraBase Compound ID EQit7nWVDzT
InChI InChI=1S/C18H20ClN3O2.C2H2O4/c19-17-3-1-2-16(12-17)14-21-10-8-20(9-11-21)13-15-4-6-18(7-5-15)22(23)24;3-1(4)2(5)6/h1-7,12H,8-11,13-14H2;(H,3,4)(H,5,6)
InChIKey QBFABYAORFTESJ-UHFFFAOYSA-N
Mol Weight 435.86 g/mol
Molecular Formula C20H22ClN3O6
Exact Mass 435.119713 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5S02Rbg1u37
Name 1-(3-chlorobenzyl)-4-(4-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/C18H20ClN3O2.C2H2O4/c19-17-3-1-2-16(12-17)14-21-10-8-20(9-11-21)13-15-4-6-18(7-5-15)22(23)24;3-1(4)2(5)6/h1-7,12H,8-11,13-14H2;(H,3,4)(H,5,6)
InChIKey QBFABYAORFTESJ-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17055
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/9030277; UBI_ID: UBI-017058
Temperature 313 °C