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2-(Hexadecyloxy)-5-(methylsulfonyl)aniline

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

2-(Hexadecyloxy)-5-(methylsulfonyl)aniline
SpectraBase Compound ID JO4CdJXOYrs
InChI InChI=1S/C23H41NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27-23-18-17-21(20-22(23)24)28(2,25)26/h17-18,20H,3-16,19,24H2,1-2H3
InChIKey YGEANWRETQEORI-UHFFFAOYSA-N
Mol Weight 411.6 g/mol
Molecular Formula C23H41NO3S
Exact Mass 411.280715 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 1hkEnjgiXp4
Name 2-(Hexadecyloxy)-5-(methylsulfonyl)aniline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 411.280715355 u
Formula C23H41NO3S
InChI InChI=1S/C23H41NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27-23-18-17-21(20-22(23)24)28(2,25)26/h17-18,20H,3-16,19,24H2,1-2H3
InChIKey YGEANWRETQEORI-UHFFFAOYSA-N
Molecular Weight 411.645 g/mol
SMILES NC1=C(C=CC(=C1)S(=O)(=O)C)OCCCCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Raman) 0.928981