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

View entire compound with spectra: 1 NMR

2-hydroxy-N,N,N-trimethyl-3-(octadecylsulfanyl)-1-propanaminium 4-methylbenzenesulfonate
SpectraBase Compound ID 5QqQCKUIQjD
InChI InChI=1S/C24H52NOS.C7H8O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-23-24(26)22-25(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h24,26H,5-23H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey ANFDOONKHTZGCC-UHFFFAOYSA-M
Mol Weight 573.9 g/mol
Molecular Formula C31H59NO4S2
Exact Mass 573.388552 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LDtCGlbm0xg
Name 2-hydroxy-N,N,N-trimethyl-3-(octadecylsulfanyl)-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/C24H52NOS.C7H8O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-23-24(26)22-25(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h24,26H,5-23H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey ANFDOONKHTZGCC-UHFFFAOYSA-M
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_18261
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: 987/00007038; Labnumber: 987/00007038218886; VK_ID: VK-018268
Temperature 308 °C