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1-(2,5-dimethoxybenzyl)-4-[(4-methylphenyl)sulfonyl]piperazin-1-ium
SpectraBase Compound ID 3IiFEjDXble
InChI InChI=1S/C20H26N2O4S/c1-16-4-7-19(8-5-16)27(23,24)22-12-10-21(11-13-22)15-17-14-18(25-2)6-9-20(17)26-3/h4-9,14H,10-13,15H2,1-3H3/p+1
InChIKey DYYLQBVFOFKTGU-UHFFFAOYSA-O
Mol Weight 391.51 g/mol
Molecular Formula C20H27N2O4S
Exact Mass 391.169154 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ba9WPB4RZsn
Name 1-(2,5-dimethoxybenzyl)-4-[(4-methylphenyl)sulfonyl]piperazin-1-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/C20H26N2O4S/c1-16-4-7-19(8-5-16)27(23,24)22-12-10-21(11-13-22)15-17-14-18(25-2)6-9-20(17)26-3/h4-9,14H,10-13,15H2,1-3H3/p+1
InChIKey DYYLQBVFOFKTGU-UHFFFAOYSA-O
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13777
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/9312125; UBI_ID: UBI-013780
Temperature 308 °C