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p-(hexadecylthio)benzenesulfonic acid

View entire compound with spectra: 2 NMR, and 1 FTIR

p-(hexadecylthio)benzenesulfonic acid
SpectraBase Compound ID 4gyp6lRxOHa
InChI InChI=1S/C22H38O3S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-26-21-16-18-22(19-17-21)27(23,24)25/h16-19H,2-15,20H2,1H3,(H,23,24,25)
InChIKey UPKCLQAOCDAFEU-UHFFFAOYSA-N
Mol Weight 414.7 g/mol
Molecular Formula C22H38O3S2
Exact Mass 414.226237 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DSWhk2UiY1q
Name p-(HEXADECYLTHIO)BENZENESULFONIC ACID
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H38O3S2
InChI InChI=1S/C22H38O3S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-26-21-16-18-22(19-17-21)27(23,24)25/h16-19H,2-15,20H2,1H3,(H,23,24,25)
InChIKey UPKCLQAOCDAFEU-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Molecular Weight 414.67
Solvent Polysol; Reference=TMS; Temperature 297K