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1-(1H-indol-3-ylmethyl)-4-(3-nitrobenzyl)piperazinediium oxalate

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1-(1H-indol-3-ylmethyl)-4-(3-nitrobenzyl)piperazinediium oxalate
SpectraBase Compound ID 4PBEaNgX3DZ
InChI InChI=1S/C20H22N4O2.C2H2O4/c25-24(26)18-5-3-4-16(12-18)14-22-8-10-23(11-9-22)15-17-13-21-20-7-2-1-6-19(17)20;3-1(4)2(5)6/h1-7,12-13,21H,8-11,14-15H2;(H,3,4)(H,5,6)
InChIKey BHAGCWMLZNFOKT-UHFFFAOYSA-N
Mol Weight 440.46 g/mol
Molecular Formula C22H24N4O6
Exact Mass 440.169585 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ink65dLb0l4
Name 1-(1H-indol-3-ylmethyl)-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/C20H22N4O2.C2H2O4/c25-24(26)18-5-3-4-16(12-18)14-22-8-10-23(11-9-22)15-17-13-21-20-7-2-1-6-19(17)20;3-1(4)2(5)6/h1-7,12-13,21H,8-11,14-15H2;(H,3,4)(H,5,6)
InChIKey BHAGCWMLZNFOKT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13005
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/9030553; UBI_ID: UBI-013008
Temperature 318 °C