| SpectraBase Compound ID | 7yLm3qMyprv |
|---|---|
| InChI | InChI=1S/C12H15ClO3S/c1-12(2,3)11(14)8-17(15,16)10-6-4-9(13)5-7-10/h4-7H,8H2,1-3H3 |
| InChIKey | XTIUXIMZIKBBSU-UHFFFAOYSA-N |
| Mol Weight | 274.76 g/mol |
| Molecular Formula | C12H15ClO3S |
| Exact Mass | 274.043043 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4hlv7Qb6y28 |
|---|---|
| Name | 1-(4-Chlorophenylsulfonyl)-3,3-dimethyl-2-butanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.043043214 u |
| Formula | C12H15ClO3S |
| InChI | InChI=1S/C12H15ClO3S/c1-12(2,3)11(14)8-17(15,16)10-6-4-9(13)5-7-10/h4-7H,8H2,1-3H3 |
| InChIKey | XTIUXIMZIKBBSU-UHFFFAOYSA-N |
| SMILES | C=1C(=CC=C(C1)Cl)S(=O)(=O)CC(C(C)(C)C)=O |