| SpectraBase Compound ID | HXvxy7SUve5 |
|---|---|
| InChI | InChI=1S/C11H12BrNO3S/c12-9-1-3-11(4-2-9)17(15,16)13-7-5-10(14)6-8-13/h1-4H,5-8H2 |
| InChIKey | CVRKCAXMZOAGQZ-UHFFFAOYSA-N |
| Mol Weight | 318.19 g/mol |
| Molecular Formula | C11H12BrNO3S |
| Exact Mass | 316.972127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DoGPbn9sweI |
|---|---|
| Name | 1-(4-Bromophenylsulfonyl)piperidin-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.972127421 u |
| Formula | C11H12BrNO3S |
| InChI | InChI=1S/C11H12BrNO3S/c12-9-1-3-11(4-2-9)17(15,16)13-7-5-10(14)6-8-13/h1-4H,5-8H2 |
| InChIKey | CVRKCAXMZOAGQZ-UHFFFAOYSA-N |
| Molecular Weight | 318.185 g/mol |
| SMILES | C1(S(=O)(=O)N2CCC(CC2)=O)=CC=C(C=C1)Br |