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1-(phenylsulfonyl)-4-(3,4,5-trimethoxybenzyl)piperazin-4-ium

View entire compound with spectra: 1 NMR

1-(phenylsulfonyl)-4-(3,4,5-trimethoxybenzyl)piperazin-4-ium
SpectraBase Compound ID 4AqomDMvDOu
InChI InChI=1S/C20H26N2O5S/c1-25-18-13-16(14-19(26-2)20(18)27-3)15-21-9-11-22(12-10-21)28(23,24)17-7-5-4-6-8-17/h4-8,13-14H,9-12,15H2,1-3H3/p+1
InChIKey GDIGEKKQCIDEQS-UHFFFAOYSA-O
Mol Weight 407.51 g/mol
Molecular Formula C20H27N2O5S
Exact Mass 407.164068 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8BTFL8myRX2
Name 1-(phenylsulfonyl)-4-(3,4,5-trimethoxybenzyl)piperazin-4-ium
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/C20H26N2O5S/c1-25-18-13-16(14-19(26-2)20(18)27-3)15-21-9-11-22(12-10-21)28(23,24)17-7-5-4-6-8-17/h4-8,13-14H,9-12,15H2,1-3H3/p+1
InChIKey GDIGEKKQCIDEQS-UHFFFAOYSA-O
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20687
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/9311834; UBI_ID: UBI-020691
Temperature 318 °C