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5-(fluorosulfonyl)-2-(hexadecylthio)benzoic acid

View entire compound with spectra: 3 NMR, and 1 FTIR

5-(fluorosulfonyl)-2-(hexadecylthio)benzoic acid
SpectraBase Compound ID 2oEfnEupAGd
InChI InChI=1S/C23H37FO4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-29-22-17-16-20(30(24,27)28)19-21(22)23(25)26/h16-17,19H,2-15,18H2,1H3,(H,25,26)
InChIKey GRUKLOFHPPMCSV-UHFFFAOYSA-N
Mol Weight 460.7 g/mol
Molecular Formula C23H37FO4S2
Exact Mass 460.21173 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EtbAzQZRgDo
Name 5-(FLUOROSULFONYL)-2-(HEXADECYLTHIO)BENZOIC ACID
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H37FO4S2
InChI InChI=1S/C23H37FO4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-29-22-17-16-20(30(24,27)28)19-21(22)23(25)26/h16-17,19H,2-15,18H2,1H3,(H,25,26)
InChIKey GRUKLOFHPPMCSV-UHFFFAOYSA-N
Molecular Weight 460.68
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms BENZOIC ACID, 5-/FLUOROSULFONYL/- 2-/HEXADECYLTHIO/-,