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N-(1-(4-(Methylthio)phenyl)-2-(phenylsulfonyl)ethyl)aniline
SpectraBase Compound ID 939tjfFI9T7
InChI InChI=1S/C21H21NO2S2/c1-25-19-14-12-17(13-15-19)21(22-18-8-4-2-5-9-18)16-26(23,24)20-10-6-3-7-11-20/h2-15,21-22H,16H2,1H3
InChIKey JKOGIUANSATJKU-UHFFFAOYSA-N
Mol Weight 383.52 g/mol
Molecular Formula C21H21NO2S2
Exact Mass 383.101371 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3hk9KfReIRE
Name N-(1-(4-(Methylthio)phenyl)-2-(phenylsulfonyl)ethyl)aniline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.101371266 u
Formula C21H21NO2S2
InChI InChI=1S/C21H21NO2S2/c1-25-19-14-12-17(13-15-19)21(22-18-8-4-2-5-9-18)16-26(23,24)20-10-6-3-7-11-20/h2-15,21-22H,16H2,1H3
InChIKey JKOGIUANSATJKU-UHFFFAOYSA-N
Molecular Weight 383.524 g/mol
SMILES C(NC1=CC=CC=C1)(C1=CC=C(SC)C=C1)CS(C1=CC=CC=C1)(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911141