![1,1-Bis[(4-methylphenyl)thio]ethane](/api/spectrum/4tRLFGiLykk/structure.png?h=300&w=458 "1,1-Bis[(4-methylphenyl)thio]ethane")
| SpectraBase Compound ID | CBlk0gfQ9SS |
|---|---|
| InChI | InChI=1S/C16H18S2/c1-12-4-8-15(9-5-12)17-14(3)18-16-10-6-13(2)7-11-16/h4-11,14H,1-3H3 |
| InChIKey | MRPOVMNWWZVZKN-UHFFFAOYSA-N |
| Mol Weight | 274.44 g/mol |
| Molecular Formula | C16H18S2 |
| Exact Mass | 274.084993 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4tRLFGiLykk |
|---|---|
| Name | 1,1-bis[(4-Methylphenyl)thio]ethane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.084992928 u |
| Formula | C16H18S2 |
| InChI | InChI=1S/C16H18S2/c1-12-4-8-15(9-5-12)17-14(3)18-16-10-6-13(2)7-11-16/h4-11,14H,1-3H3 |
| InChIKey | MRPOVMNWWZVZKN-UHFFFAOYSA-N |
| SMILES | C(C)(SC=1C=CC(=CC1)C)SC=1C=CC(=CC1)C |