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

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1-(3-pyridinylmethyl)-4-(2,4,5-trimethoxybenzyl)piperazinediium oxalate
SpectraBase Compound ID BGLaGsNnwl8
InChI InChI=1S/C20H27N3O3.C2H2O4/c1-24-18-12-20(26-3)19(25-2)11-17(18)15-23-9-7-22(8-10-23)14-16-5-4-6-21-13-16;3-1(4)2(5)6/h4-6,11-13H,7-10,14-15H2,1-3H3;(H,3,4)(H,5,6)
InChIKey PREYZUKZFKGTPZ-UHFFFAOYSA-N
Mol Weight 447.49 g/mol
Molecular Formula C22H29N3O7
Exact Mass 447.20055 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GIj7cCo4zU7
Name 1-(3-pyridinylmethyl)-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/C20H27N3O3.C2H2O4/c1-24-18-12-20(26-3)19(25-2)11-17(18)15-23-9-7-22(8-10-23)14-16-5-4-6-21-13-16;3-1(4)2(5)6/h4-6,11-13H,7-10,14-15H2,1-3H3;(H,3,4)(H,5,6)
InChIKey PREYZUKZFKGTPZ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8431
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/9030378; UBI_ID: UBI-008434
Temperature 305 °C