SpectraBase Spectrum ID |
97ruBRSqCtt |
Name |
2,4-Dichlorostyryl phenyl sulfone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
311.977856134 u |
Formula |
C14H10Cl2O2S |
InChI |
InChI=1S/C14H10Cl2O2S/c15-12-7-6-11(14(16)10-12)8-9-19(17,18)13-4-2-1-3-5-13/h1-10H |
InChIKey |
QPMFUCLWWAQPBD-UHFFFAOYSA-N |
Molecular Weight |
313.198 g/mol |
SMILES |
C=1C(=CC=CC1)S(=O)(=O)C=CC=1C=CC(=CC1Cl)Cl |
Spectrum/Structure Validation Score (Raman) |
0.911454 |