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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 537.8 g/mol
Molecular Formula C28H43NO5S2
Exact Mass 537.258266 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID Gck024m5iFM
Name 2-(HEXADECYLTHIO)-5-SULFOBENZOIC ACID, COMPOUND WITH PYRIDINE (1:1)
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number S59787
Copyright Copyright © 1980, 1981-2024 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
Molecular Weight 537.773987
Synonyms BENZOIC ACID, 2-/HEXADECYLTHIO/- 5-SULFO-, CMPD WITH PYRIDINE /1 TO 1/
Technique KBr WAFER