SpectraBase Spectrum ID |
isYgUsDFzb |
Name |
2,4,6-Trimethyl-3'-ethyldiphenylsulfone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
288.118401056 u |
Formula |
C17H20O2S |
InChI |
InChI=1S/C17H20O2S/c1-5-15-7-6-8-16(11-15)20(18,19)17-13(3)9-12(2)10-14(17)4/h6-11H,5H2,1-4H3 |
InChIKey |
DKARIFPETNPSSJ-UHFFFAOYSA-N |
SMILES |
C1(=C(C(=CC(=C1)C)C)S(C1=CC=CC(=C1)CC)(=O)=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937023 |