| SpectraBase Spectrum ID |
HVJpMJUzekS |
| Name |
2,2',3,4',6-Pentachloro-4-methylsulfonylbiphenyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
401.860939137 u |
| Formula |
C13H7Cl5O2S |
| InChI |
InChI=1S/C13H7Cl5O2S/c1-21(19,20)10-5-9(16)11(13(18)12(10)17)7-3-2-6(14)4-8(7)15/h2-5H,1H3 |
| InChIKey |
BHVPZQWKLQRCFN-UHFFFAOYSA-N |
| Molecular Weight |
404.522 g/mol |
| SMILES |
CS(=O)(=O)C=1C=C(Cl)C(=C(C1Cl)Cl)C=1C(Cl)=CC(Cl)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929011 |
