| SpectraBase Spectrum ID |
5SrKJpZxClq |
| Name |
5-(Phenylsulfonyl)-m-xylene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.071450863 u |
| Formula |
C14H14O2S |
| InChI |
InChI=1S/C14H14O2S/c1-11-8-12(2)10-14(9-11)17(15,16)13-6-4-3-5-7-13/h3-10H,1-2H3 |
| InChIKey |
ICQZMELJGIVXAS-UHFFFAOYSA-N |
| Molecular Weight |
246.324 g/mol |
| SMILES |
C1(S(=O)(=O)C2=CC(=CC(=C2)C)C)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846245 |
