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1-(4-bromobenzyl)-4-[(4-methoxyphenyl)sulfonyl]piperazin-1-ium
SpectraBase Compound ID 6olVr3xYzik
InChI InChI=1S/C18H21BrN2O3S/c1-24-17-6-8-18(9-7-17)25(22,23)21-12-10-20(11-13-21)14-15-2-4-16(19)5-3-15/h2-9H,10-14H2,1H3/p+1
InChIKey HROQWAQQGPHDHQ-UHFFFAOYSA-O
Mol Weight 426.35 g/mol
Molecular Formula C18H22BrN2O3S
Exact Mass 425.053452 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IsEIYaP1uiD
Name 1-(4-bromobenzyl)-4-[(4-methoxyphenyl)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/C18H21BrN2O3S/c1-24-17-6-8-18(9-7-17)25(22,23)21-12-10-20(11-13-21)14-15-2-4-16(19)5-3-15/h2-9H,10-14H2,1H3/p+1
InChIKey HROQWAQQGPHDHQ-UHFFFAOYSA-O
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13720
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/9311679; UBI_ID: UBI-013723
Temperature 308 °C