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3-(benzylsulfanyl)-2-hydroxy-N,N,N-trimethyl-1-propanaminium 4-methylbenzenesulfonate

View entire compound with spectra: 1 NMR

3-(benzylsulfanyl)-2-hydroxy-N,N,N-trimethyl-1-propanaminium 4-methylbenzenesulfonate
SpectraBase Compound ID LVu2MzdzAgT
InChI InChI=1S/C13H22NOS.C7H8O3S/c1-14(2,3)9-13(15)11-16-10-12-7-5-4-6-8-12;1-6-2-4-7(5-3-6)11(8,9)10/h4-8,13,15H,9-11H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey CWWXHGNPMNIPJX-UHFFFAOYSA-M
Mol Weight 411.57 g/mol
Molecular Formula C20H29NO4S2
Exact Mass 411.153801 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5y3KZ8DF4SR
Name 3-(benzylsulfanyl)-2-hydroxy-N,N,N-trimethyl-1-propanaminium 4-methylbenzenesulfonate
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/C13H22NOS.C7H8O3S/c1-14(2,3)9-13(15)11-16-10-12-7-5-4-6-8-12;1-6-2-4-7(5-3-6)11(8,9)10/h4-8,13,15H,9-11H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey CWWXHGNPMNIPJX-UHFFFAOYSA-M
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_18210
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: 987/00006946; Labnumber: 987/00006946218885; VK_ID: VK-018217
Temperature 308 °C