| SpectraBase Compound ID | A6PAc72OpGa |
|---|---|
| InChI | InChI=1S/C12H6Cl4S/c13-7-1-8(14)4-11(3-7)17-12-5-9(15)2-10(16)6-12/h1-6H |
| InChIKey | OLQZRIOUROMVNM-UHFFFAOYSA-N |
| Mol Weight | 324.1 g/mol |
| Molecular Formula | C12H6Cl4S |
| Exact Mass | 321.894432 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7HxwOdcXGRc |
|---|---|
| Name | bis(3,5-Dichlorophenyl)sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.894432167 u |
| Formula | C12H6Cl4S |
| InChI | InChI=1S/C12H6Cl4S/c13-7-1-8(14)4-11(3-7)17-12-5-9(15)2-10(16)6-12/h1-6H |
| InChIKey | OLQZRIOUROMVNM-UHFFFAOYSA-N |
| Molecular Weight | 324.052 g/mol |
| SMILES | C=1(SC=2C=C(C=C(C2)Cl)Cl)C=C(C=C(C1)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.856796 |