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2-(hexadecyloxy)-5-sulfobenzoic acid

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

2-(hexadecyloxy)-5-sulfobenzoic acid
SpectraBase Compound ID 3lSkRNs26wL
InChI InChI=1S/C23H38O6S/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 XMOQPZLLKNFFIR-UHFFFAOYSA-N
Mol Weight 442.6 g/mol
Molecular Formula C23H38O6S
Exact Mass 442.23891 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HIbFFMb6vWq
Name 2-(HEXADECYLOXY)-5-SULFOBENZOIC ACID
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H38O6S
InChI InChI=1S/C23H38O6S/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 XMOQPZLLKNFFIR-UHFFFAOYSA-N
Molecular Weight 442.62
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BENZOIC ACID, 2-/HEXADECYLOXY/- 5-SULFO-,