![2,2''-Thiobis[4'-bromoacetophenone]](/api/spectrum/5QYNbMIII9Y/structure.png?h=300&w=458 "2,2''-Thiobis[4'-bromoacetophenone]")
| SpectraBase Compound ID | KVfi6wpfI3f |
|---|---|
| InChI | InChI=1S/C16H12Br2O2S/c17-13-5-1-11(2-6-13)15(19)9-21-10-16(20)12-3-7-14(18)8-4-12/h1-8H,9-10H2 |
| InChIKey | PLCFAVVWPPSFIL-UHFFFAOYSA-N |
| Mol Weight | 428.14 g/mol |
| Molecular Formula | C16H12Br2O2S |
| Exact Mass | 425.892477 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5QYNbMIII9Y |
|---|---|
| Name | 2,2''-Thiobis[4'-bromoacetophenone] |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 425.892476798 u |
| Formula | C16H12Br2O2S |
| InChI | InChI=1S/C16H12Br2O2S/c17-13-5-1-11(2-6-13)15(19)9-21-10-16(20)12-3-7-14(18)8-4-12/h1-8H,9-10H2 |
| InChIKey | PLCFAVVWPPSFIL-UHFFFAOYSA-N |
| Molecular Weight | 428.138 g/mol |
| SMILES | C=1C(=CC=C(C1)Br)C(CSCC(C=1C=CC(=CC1)Br)=O)=O |