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1-octadecylpyridinium p-toluenesulfonate

View entire compound with spectra: 3 NMR, and 1 FTIR

1-octadecylpyridinium p-toluenesulfonate
SpectraBase Compound ID 69N5CrVhD4s
InChI InChI=1S/C23H42N.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24;1-6-2-4-7(5-3-6)11(8,9)10/h17,19-20,22-23H,2-16,18,21H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey AOSAPFIEKADTIU-UHFFFAOYSA-M
Mol Weight 503.79 g/mol
Molecular Formula C30H49NO3S
Exact Mass 503.343316 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GMu2VSTaaAi
Name 1-octadecylpyridinium 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/C23H42N.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24;1-6-2-4-7(5-3-6)11(8,9)10/h17,19-20,22-23H,2-16,18,21H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey AOSAPFIEKADTIU-UHFFFAOYSA-M
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_16126
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: 987/00003237; Labnumber: 987/00003237218839; VK_ID: VK-016131
Temperature 308 °C