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

View entire compound with spectra: 3 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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 12VjOhX0eZs
Name 3-AMINO-4-(HEXADECYLTHIO)BENZOIC ACID, METHYL ESTER
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number S62808
Copyright Copyright © 1980, 1981-2025 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
Molecular Weight 407.657013
Synonyms BENZOIC ACID, 3-AMINO-4-/HEXADECYL- THIO/-, METHYL ESTER
Technique KBr WAFER