| SpectraBase Compound ID | FLD77GV889F |
|---|---|
| InChI | InChI=1S/C11H19ClO4S/c1-17(15,16)9-11(14)7-5-3-2-4-6-10(13)8-12/h2-9H2,1H3 |
| InChIKey | HDJMQCJLEPNENU-UHFFFAOYSA-N |
| Mol Weight | 282.78 g/mol |
| Molecular Formula | C11H19ClO4S |
| Exact Mass | 282.069258 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ZVHJdYCMbz |
|---|---|
| Name | 1-Chloro-10-(methylsulphonyl)-2,9-decanedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.069257962 u |
| Formula | C11H19ClO4S |
| InChI | InChI=1S/C11H19ClO4S/c1-17(15,16)9-11(14)7-5-3-2-4-6-10(13)8-12/h2-9H2,1H3 |
| InChIKey | HDJMQCJLEPNENU-UHFFFAOYSA-N |
| Molecular Weight | 282.782 g/mol |
| SMILES | C(S(=O)(=O)C)C(=O)CCCCCCC(=O)CCl |