| SpectraBase Compound ID | 9R4T4e0dzjY |
|---|---|
| InChI | InChI=1S/C12H6BrCl3O2S/c13-7-1-3-8(4-2-7)19(17,18)12-6-10(15)9(14)5-11(12)16/h1-6H |
| InChIKey | HNBYAXUMYAFURN-UHFFFAOYSA-N |
| Mol Weight | 400.5 g/mol |
| Molecular Formula | C12H6BrCl3O2S |
| Exact Mass | 397.833747 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C3VRSLzeUp3 |
|---|---|
| Name | p-Bromophenyl 2,4,5-trichlorophenyl sulfone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 397.833746705 u |
| Formula | C12H6BrCl3O2S |
| InChI | InChI=1S/C12H6BrCl3O2S/c13-7-1-3-8(4-2-7)19(17,18)12-6-10(15)9(14)5-11(12)16/h1-6H |
| InChIKey | HNBYAXUMYAFURN-UHFFFAOYSA-N |
| Molecular Weight | 400.501 g/mol |
| SMILES | C=1C(Cl)=C(Cl)C=C(C1Cl)S(C1=CC=C(C=C1)Br)(=O)=O |