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1-(3-bromo-4-methoxybenzyl)-4-(methylsulfonyl)piperazin-1-ium

View entire compound with spectra: 1 NMR

1-(3-bromo-4-methoxybenzyl)-4-(methylsulfonyl)piperazin-1-ium
SpectraBase Compound ID FsUT4qlfiOS
InChI InChI=1S/C13H19BrN2O3S/c1-19-13-4-3-11(9-12(13)14)10-15-5-7-16(8-6-15)20(2,17)18/h3-4,9H,5-8,10H2,1-2H3/p+1
InChIKey FHGYPGATKRNZKE-UHFFFAOYSA-O
Mol Weight 364.28 g/mol
Molecular Formula C13H20BrN2O3S
Exact Mass 363.037802 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7tz8uxQGKWh
Name 1-(3-bromo-4-methoxybenzyl)-4-(methylsulfonyl)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/C13H19BrN2O3S/c1-19-13-4-3-11(9-12(13)14)10-15-5-7-16(8-6-15)20(2,17)18/h3-4,9H,5-8,10H2,1-2H3/p+1
InChIKey FHGYPGATKRNZKE-UHFFFAOYSA-O
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20614
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/9310971; UBI_ID: UBI-020618
Temperature 308 °C