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2-(hexadecylthio)-5-sulfobenzoic acid

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

2-(hexadecylthio)-5-sulfobenzoic acid
SpectraBase Compound ID 8bmjtvc2ynJ
InChI InChI=1S/C23H38O5S2/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/h16-17,19H,2-15,18H2,1H3,(H,24,25)(H,26,27,28)
InChIKey GKIPDPXSFDOPEB-UHFFFAOYSA-N
Mol Weight 458.7 g/mol
Molecular Formula C23H38O5S2
Exact Mass 458.216067 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID CWX30Y2hcTp
Name 2-(HEXADECYLTHIO)-5-SULFOBENZOIC ACID
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number S59293
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H38O5S2
InChI InChI=1S/C23H38O5S2/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/h16-17,19H,2-15,18H2,1H3,(H,24,25)(H,26,27,28)
InChIKey GKIPDPXSFDOPEB-UHFFFAOYSA-N
Molecular Weight 458.671997
Synonyms BENZOIC ACID, 2-/HEXADECYLTHIO/- 5-SULFO-,
Technique KBr WAFER