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

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3-(decylsulfanyl)-2-hydroxy-N,N,N-trimethyl-1-propanaminium 4-methylbenzenesulfonate
SpectraBase Compound ID DQTUMWrjzSM
InChI InChI=1S/C16H36NOS.C7H8O3S/c1-5-6-7-8-9-10-11-12-13-19-15-16(18)14-17(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h16,18H,5-15H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey KZNJUWRBNCQTPW-UHFFFAOYSA-M
Mol Weight 461.7 g/mol
Molecular Formula C23H43NO4S2
Exact Mass 461.263351 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ENeXWcZqnbP
Name 3-(decylsulfanyl)-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/C16H36NOS.C7H8O3S/c1-5-6-7-8-9-10-11-12-13-19-15-16(18)14-17(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h16,18H,5-15H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey KZNJUWRBNCQTPW-UHFFFAOYSA-M
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_18271
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: 987/00007057; Labnumber: 987/00007057218886; VK_ID: VK-018278
Temperature 308 °C