| SpectraBase Spectrum ID |
20nO6TI2gOT |
| Name |
o-Acetotoluidide, 4'-(ethylsulfonyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
241.077264518 u |
| Formula |
C11H15NO3S |
| InChI |
InChI=1S/C11H15NO3S/c1-4-16(14,15)10-5-6-11(8(2)7-10)12-9(3)13/h5-7H,4H2,1-3H3,(H,12,13) |
| InChIKey |
LLXQKMDVCOCYJI-UHFFFAOYSA-N |
| Molecular Weight |
241.305 g/mol |
| SMILES |
C1=C(C=CC(=C1C)NC(C)=O)S(CC)(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8616 |
