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1-(3-chlorobenzyl)-4-(2,4,5-trimethoxybenzyl)piperazinediium oxalate

View entire compound with spectra: 1 NMR

1-(3-chlorobenzyl)-4-(2,4,5-trimethoxybenzyl)piperazinediium oxalate
SpectraBase Compound ID 8MOqhsRSneM
InChI InChI=1S/C21H27ClN2O3.C2H2O4/c1-25-19-13-21(27-3)20(26-2)12-17(19)15-24-9-7-23(8-10-24)14-16-5-4-6-18(22)11-16;3-1(4)2(5)6/h4-6,11-13H,7-10,14-15H2,1-3H3;(H,3,4)(H,5,6)
InChIKey AQHRGZYZMFNENL-UHFFFAOYSA-N
Mol Weight 480.95 g/mol
Molecular Formula C23H29ClN2O7
Exact Mass 480.166329 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J60X7iDJxDN
Name 1-(3-chlorobenzyl)-4-(2,4,5-trimethoxybenzyl)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/C21H27ClN2O3.C2H2O4/c1-25-19-13-21(27-3)20(26-2)12-17(19)15-24-9-7-23(8-10-24)14-16-5-4-6-18(22)11-16;3-1(4)2(5)6/h4-6,11-13H,7-10,14-15H2,1-3H3;(H,3,4)(H,5,6)
InChIKey AQHRGZYZMFNENL-UHFFFAOYSA-N
NMR Offset 18.416
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_17066
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/9030549; UBI_ID: UBI-017069
Temperature 313 °C