![bis{2-[(p-Chlorophenyl)thio]ethyl}sulfone](/api/spectrum/3hSIC7SmgUq/structure.png?h=300&w=458 "bis{2-[(p-Chlorophenyl)thio]ethyl}sulfone")
| SpectraBase Compound ID | 59WkeR93iBd |
|---|---|
| InChI | InChI=1S/C16H16Cl2O2S3/c17-13-1-5-15(6-2-13)21-9-11-23(19,20)12-10-22-16-7-3-14(18)4-8-16/h1-8H,9-12H2 |
| InChIKey | RCHXLLXUMHACCW-UHFFFAOYSA-N |
| Mol Weight | 407.39 g/mol |
| Molecular Formula | C16H16Cl2O2S3 |
| Exact Mass | 405.968949 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3hSIC7SmgUq |
|---|---|
| Name | bis{2-[(p-Chlorophenyl)thio]ethyl}sulfone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 405.968948675 u |
| Formula | C16H16Cl2O2S3 |
| InChI | InChI=1S/C16H16Cl2O2S3/c17-13-1-5-15(6-2-13)21-9-11-23(19,20)12-10-22-16-7-3-14(18)4-8-16/h1-8H,9-12H2 |
| InChIKey | RCHXLLXUMHACCW-UHFFFAOYSA-N |
| Molecular Weight | 407.388 g/mol |
| SMILES | C=1C(=CC=C(C1)Cl)SCCS(=O)(=O)CCSC=1C=CC(=CC1)Cl |