| SpectraBase Spectrum ID |
Gg2YhYCA58u |
| Name |
2-Methylsulfonyl-2',6'-dichlorobiphenyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.977856134 u |
| Formula |
C13H10Cl2O2S |
| InChI |
InChI=1S/C13H10Cl2O2S/c1-18(16,17)12-8-3-2-5-9(12)13-10(14)6-4-7-11(13)15/h2-8H,1H3 |
| InChIKey |
YIRPXRFAHBWKJF-UHFFFAOYSA-N |
| Molecular Weight |
301.187 g/mol |
| SMILES |
C=1(S(=O)(=O)C)C(C2=C(Cl)C=CC=C2Cl)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843185 |
