For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-(hexadecylthio)-5-sulfobenzoic acid, compound with pyridine(1:1)

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

2-(hexadecylthio)-5-sulfobenzoic acid, compound with pyridine(1:1)
SpectraBase Compound ID AcTwUL3kJZ4
InChI InChI=1S/C23H38O5S2.C5H5N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-29-22-17-16-20(30(26,27)28)19-21(22)23(24)25;1-2-4-6-5-3-1/h16-17,19H,2-15,18H2,1H3,(H,24,25)(H,26,27,28);1-5H
InChIKey CBALKAGCQJTAGR-UHFFFAOYSA-N
Mol Weight 537.77 g/mol
Molecular Formula C28H43NO5S2
Exact Mass 537.258266 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5nUUTwYoCzO
Name 2-(HEXADECYLTHIO)-5-SULFOBENZOIC ACID, COMPOUND WITH PYRIDINE (1:1)
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H38O5S2 + C5H5N
InChI InChI=1S/C23H38O5S2.C5H5N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-29-22-17-16-20(30(26,27)28)19-21(22)23(24)25;1-2-4-6-5-3-1/h16-17,19H,2-15,18H2,1H3,(H,24,25)(H,26,27,28);1-5H
InChIKey CBALKAGCQJTAGR-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Molecular Weight 537.79
Solvent Polysol; Reference=TMS; Temperature 297K