| SpectraBase Spectrum ID |
8w5Mx6VTw5a |
| Name |
2-Methylsulfonyl-3',4',5'-trichlorobiphenyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.938883802 u |
| Formula |
C13H9Cl3O2S |
| InChI |
InChI=1S/C13H9Cl3O2S/c1-19(17,18)12-5-3-2-4-9(12)8-6-10(14)13(16)11(15)7-8/h2-7H,1H3 |
| InChIKey |
RHQAKLWCPPGQRI-UHFFFAOYSA-N |
| Molecular Weight |
335.632 g/mol |
| SMILES |
C=1(S(=O)(=O)C)C(C2=CC(Cl)=C(C(=C2)Cl)Cl)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949471 |
