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 |