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3-amino-4-(hexadecylthio)benzoic acid, methyl ester

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

3-amino-4-(hexadecylthio)benzoic acid, methyl ester
SpectraBase Compound ID 8cdpY4n03DW
InChI InChI=1S/C24H41NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-23-18-17-21(20-22(23)25)24(26)27-2/h17-18,20H,3-16,19,25H2,1-2H3
InChIKey UQOIPLDNHUTFHX-UHFFFAOYSA-N
Mol Weight 407.7 g/mol
Molecular Formula C24H41NO2S
Exact Mass 407.285801 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6DsbTlPlL9y
Name 3-AMINO-4-(HEXADECYLTHIO)BENZOIC ACID, METHYL ESTER
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H41NO2S
InChI InChI=1S/C24H41NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-23-18-17-21(20-22(23)25)24(26)27-2/h17-18,20H,3-16,19,25H2,1-2H3
InChIKey UQOIPLDNHUTFHX-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Molecular Weight 407.66
Solvent CDCl3; Reference=TMS; Temperature 297K