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o-(Hexadecylsulfonyl)aniline

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

o-(Hexadecylsulfonyl)aniline
SpectraBase Compound ID 5dZM5fu9B2Y
InChI InChI=1S/C22H39NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-26(24,25)22-19-16-15-18-21(22)23/h15-16,18-19H,2-14,17,20,23H2,1H3
InChIKey KKFZGHHCJCWFFZ-UHFFFAOYSA-N
Mol Weight 381.6 g/mol
Molecular Formula C22H39NO2S
Exact Mass 381.270151 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID E13pes4os3E
Name o-(Hexadecylsulfonyl)aniline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 381.270150672 u
Formula C22H39NO2S
InChI InChI=1S/C22H39NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-26(24,25)22-19-16-15-18-21(22)23/h15-16,18-19H,2-14,17,20,23H2,1H3
InChIKey KKFZGHHCJCWFFZ-UHFFFAOYSA-N
Molecular Weight 381.619 g/mol
SMILES NC=1C(=CC=CC1)S(=O)(=O)CCCCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Raman) 0.77716