![1-Bromo-4-[p-chlorophenylsulfonyl]-2-butanone](/api/spectrum/LIS1b0Y2L46/structure.png?h=300&w=458 "1-Bromo-4-[p-chlorophenylsulfonyl]-2-butanone")
| SpectraBase Compound ID | 8wS968MEnoz |
|---|---|
| InChI | InChI=1S/C10H10BrClO3S/c11-7-9(13)5-6-16(14,15)10-3-1-8(12)2-4-10/h1-4H,5-7H2 |
| InChIKey | NAJJLBKJETUVOX-UHFFFAOYSA-N |
| Mol Weight | 325.6 g/mol |
| Molecular Formula | C10H10BrClO3S |
| Exact Mass | 323.922256 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LIS1b0Y2L46 |
|---|---|
| Name | 1-Bromo-4-[p-chlorophenylsulfonyl]-2-butanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.922256053 u |
| Formula | C10H10BrClO3S |
| InChI | InChI=1S/C10H10BrClO3S/c11-7-9(13)5-6-16(14,15)10-3-1-8(12)2-4-10/h1-4H,5-7H2 |
| InChIKey | NAJJLBKJETUVOX-UHFFFAOYSA-N |
| Molecular Weight | 325.604 g/mol |
| SMILES | C1=CC(S(CCC(CBr)=O)(=O)=O)=CC=C1Cl |