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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) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LpD8G0tbogn
Name 2-(hexadecylthio)-5-sulfobenzoic acid, compound with pyridine(1:1)
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H43NO5S2
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 Varian CFT-20
Sadtler NMR Number 50871M
Solvent DMSO-d6