| SpectraBase Spectrum ID |
Lrid1XA8ANI |
| Name |
2-(p-Tolylsulfonylmethyl)aniline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.082349899 u |
| Formula |
C14H15NO2S |
| InChI |
InChI=1S/C14H15NO2S/c1-11-6-8-13(9-7-11)18(16,17)10-12-4-2-3-5-14(12)15/h2-9H,10,15H2,1H3 |
| InChIKey |
XHXMMBYDWQKYMB-UHFFFAOYSA-N |
| Molecular Weight |
261.339 g/mol |
| SMILES |
C(S(C1=CC=C(C=C1)C)(=O)=O)C=1C(N)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910777 |
