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1-[(4-methoxyphenyl)sulfonyl]-4-(2,4,5-trimethoxybenzyl)piperazin-4-ium
SpectraBase Compound ID 5Krc7krrXCO
InChI InChI=1S/C21H28N2O6S/c1-26-17-5-7-18(8-6-17)30(24,25)23-11-9-22(10-12-23)15-16-13-20(28-3)21(29-4)14-19(16)27-2/h5-8,13-14H,9-12,15H2,1-4H3/p+1
InChIKey PNBXMKNZICQLAK-UHFFFAOYSA-O
Mol Weight 437.53 g/mol
Molecular Formula C21H29N2O6S
Exact Mass 437.174633 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7WBqdfkcqlS
Name 1-[(4-methoxyphenyl)sulfonyl]-4-(2,4,5-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/C21H28N2O6S/c1-26-17-5-7-18(8-6-17)30(24,25)23-11-9-22(10-12-23)15-16-13-20(28-3)21(29-4)14-19(16)27-2/h5-8,13-14H,9-12,15H2,1-4H3/p+1
InChIKey PNBXMKNZICQLAK-UHFFFAOYSA-O
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13671
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/9311275; UBI_ID: UBI-013674
Temperature 318 °C