SpectraBase Spectrum ID |
H5WfEXbo1z3 |
Name |
Acetamide, N-[4-methyl-2-[3-(methylsulfonyl)-2-oxopropyl]phenyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
283.087829201 u |
Formula |
C13H17NO4S |
InChI |
InChI=1S/C13H17NO4S/c1-9-4-5-13(14-10(2)15)11(6-9)7-12(16)8-19(3,17)18/h4-6H,7-8H2,1-3H3,(H,14,15) |
InChIKey |
HMCSQPGFJWTNPC-UHFFFAOYSA-N |
Molecular Weight |
283.342 g/mol |
SMILES |
C(S(=O)(=O)C)C(CC=1C(NC(=O)C)=CC=C(C1)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.864852 |