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

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1-(4-chlorobenzyl)-4-(1H-indol-3-ylmethyl)piperazinediium oxalate
SpectraBase Compound ID 2n6jGPPtyE0
InChI InChI=1S/C20H22ClN3.C2H2O4/c21-18-7-5-16(6-8-18)14-23-9-11-24(12-10-23)15-17-13-22-20-4-2-1-3-19(17)20;3-1(4)2(5)6/h1-8,13,22H,9-12,14-15H2;(H,3,4)(H,5,6)
InChIKey ZPQWBCXWCYTQIG-UHFFFAOYSA-N
Mol Weight 429.9 g/mol
Molecular Formula C22H24ClN3O4
Exact Mass 429.145534 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8L225ykeXdL
Name 1-(4-chlorobenzyl)-4-(1H-indol-3-ylmethyl)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/C20H22ClN3.C2H2O4/c21-18-7-5-16(6-8-18)14-23-9-11-24(12-10-23)15-17-13-22-20-4-2-1-3-19(17)20;3-1(4)2(5)6/h1-8,13,22H,9-12,14-15H2;(H,3,4)(H,5,6)
InChIKey ZPQWBCXWCYTQIG-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12953
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/9029897; UBI_ID: UBI-012956
Temperature 318 °C