| SpectraBase Compound ID | 5e6Q0WyoveK |
|---|---|
| InChI | InChI=1S/C11H13ClOS2/c1-14-11(15-2)7-10(13)8-3-5-9(12)6-4-8/h3-6,11H,7H2,1-2H3 |
| InChIKey | AMSNNPQVJKRFGE-UHFFFAOYSA-N |
| Mol Weight | 260.8 g/mol |
| Molecular Formula | C11H13ClOS2 |
| Exact Mass | 260.009635 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BC5zF2Fif2w |
|---|---|
| Name | 1-Propanone, 1-(4-chlorophenyl)-3,3-bis(methylthio)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.009635086 u |
| Formula | C11H13ClOS2 |
| InChI | InChI=1S/C11H13ClOS2/c1-14-11(15-2)7-10(13)8-3-5-9(12)6-4-8/h3-6,11H,7H2,1-2H3 |
| InChIKey | AMSNNPQVJKRFGE-UHFFFAOYSA-N |
| Molecular Weight | 260.797 g/mol |
| SMILES | C(C(C=1C=CC(=CC1)Cl)=O)C(SC)SC |