| SpectraBase Compound ID | 5Kw9NM66ex0 |
|---|---|
| InChI | InChI=1S/C21H18OS2/c22-20(16-17-10-4-1-5-11-17)21(23-18-12-6-2-7-13-18)24-19-14-8-3-9-15-19/h1-15,21H,16H2 |
| InChIKey | XPAWYIGYJZAEEG-UHFFFAOYSA-N |
| Mol Weight | 350.49 g/mol |
| Molecular Formula | C21H18OS2 |
| Exact Mass | 350.079908 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3ECtMKEMech |
|---|---|
| Name | 2-Propanone, 3-phenyl-1,1-bis(phenylthio)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.079907547 u |
| Formula | C21H18OS2 |
| InChI | InChI=1S/C21H18OS2/c22-20(16-17-10-4-1-5-11-17)21(23-18-12-6-2-7-13-18)24-19-14-8-3-9-15-19/h1-15,21H,16H2 |
| InChIKey | XPAWYIGYJZAEEG-UHFFFAOYSA-N |
| Molecular Weight | 350.494 g/mol |
| SMILES | C(C(CC=1C=CC=CC1)=O)(SC=1C=CC=CC1)SC=1C=CC=CC1 |