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

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2-hydroxy-N,N,N-trimethyl-3-(octylsulfanyl)-1-propanaminium 4-methylbenzenesulfonate
SpectraBase Compound ID 8po7vnd8GV3
InChI InChI=1S/C14H32NOS.C7H8O3S/c1-5-6-7-8-9-10-11-17-13-14(16)12-15(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h14,16H,5-13H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey CRBKLLKTJPRGAG-UHFFFAOYSA-M
Mol Weight 433.7 g/mol
Molecular Formula C21H39NO4S2
Exact Mass 433.232051 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AiVO6ekYoDq
Name 2-hydroxy-N,N,N-trimethyl-3-(octylsulfanyl)-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/C14H32NOS.C7H8O3S/c1-5-6-7-8-9-10-11-17-13-14(16)12-15(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h14,16H,5-13H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey CRBKLLKTJPRGAG-UHFFFAOYSA-M
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_18230
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: 987/00006978; Labnumber: 987/00006978218885; VK_ID: VK-018237
Temperature 308 °C