| SpectraBase Compound ID | BMF0xADCNK6 |
|---|---|
| InChI | InChI=1S/C11H13ClOS/c12-11-3-1-9(2-4-11)10-5-7-14(13)8-6-10/h1-4,10H,5-8H2 |
| InChIKey | SFNMFHFRWOOPSN-UHFFFAOYSA-N |
| Mol Weight | 228.74 g/mol |
| Molecular Formula | C11H13ClOS |
| Exact Mass | 228.037564 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4tVFq3M1qLz |
|---|---|
| Name | 4-(p-Chlorophenyl)thiane 1-oxide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.037563912 u |
| Formula | C11H13ClOS |
| InChI | InChI=1S/C11H13ClOS/c12-11-3-1-9(2-4-11)10-5-7-14(13)8-6-10/h1-4,10H,5-8H2 |
| InChIKey | SFNMFHFRWOOPSN-UHFFFAOYSA-N |
| Molecular Weight | 228.737 g/mol |
| SMILES | C1S(CCC(C1)C1=CC=C(C=C1)Cl)=O |