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2-(hexadecyloxy)-5-sulfohydrocinnamic acid

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

2-(hexadecyloxy)-5-sulfohydrocinnamic acid
SpectraBase Compound ID 1nImOzL22f5
InChI InChI=1S/C25H42O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-31-24-18-17-23(32(28,29)30)21-22(24)16-19-25(26)27/h17-18,21H,2-16,19-20H2,1H3,(H,26,27)(H,28,29,30)
InChIKey KDXJPGSSLAZNSX-UHFFFAOYSA-N
Mol Weight 470.7 g/mol
Molecular Formula C25H42O6S
Exact Mass 470.27021 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CtsOm18LaI0
Name 2-(HEXADECYLOXY)-5-SULFOHYDROCINNAMIC ACID
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H42O6S
InChI InChI=1S/C25H42O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-31-24-18-17-23(32(28,29)30)21-22(24)16-19-25(26)27/h17-18,21H,2-16,19-20H2,1H3,(H,26,27)(H,28,29,30)
InChIKey KDXJPGSSLAZNSX-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Molecular Weight 470.67
Solvent CDCl3; Reference=TMS; Temperature 297K