| SpectraBase Compound ID | 2iMynze0pA3 |
|---|---|
| InChI | InChI=1S/C8H9ClO2S/c1-12(10,11)6-7-2-4-8(9)5-3-7/h2-5H,6H2,1H3 |
| InChIKey | NLAHSDOLKYATFI-UHFFFAOYSA-N |
| Mol Weight | 204.67 g/mol |
| Molecular Formula | C8H9ClO2S |
| Exact Mass | 204.001178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KrG0BX1i5N5 |
|---|---|
| Name | 4-Chlorobenzyl methyl sulfone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.001178402 u |
| Formula | C8H9ClO2S |
| InChI | InChI=1S/C8H9ClO2S/c1-12(10,11)6-7-2-4-8(9)5-3-7/h2-5H,6H2,1H3 |
| InChIKey | NLAHSDOLKYATFI-UHFFFAOYSA-N |
| SMILES | C(S(=O)(=O)C)C1=CC=C(C=C1)Cl |