| SpectraBase Compound ID | 8xdPHj66Dt7 |
|---|---|
| InChI | InChI=1S/C18H22S/c1-11-7-13(3)17(14(4)8-11)19-18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3 |
| InChIKey | YGBOWMSNMMPEHJ-UHFFFAOYSA-N |
| Mol Weight | 270.43 g/mol |
| Molecular Formula | C18H22S |
| Exact Mass | 270.144222 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LKweqeCVnv |
|---|---|
| Name | 1,3,5-Trimethyl-2-(2,4,6-trimethylphenyl)sulfanyl-benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.144221882 u |
| Formula | C18H22S |
| InChI | InChI=1S/C18H22S/c1-11-7-13(3)17(14(4)8-11)19-18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3 |
| InChIKey | YGBOWMSNMMPEHJ-UHFFFAOYSA-N |
| Molecular Weight | 270.434 g/mol |
| SMILES | Cc1cc(c(c(c1)C)Sc1c(cc(cc1C)C)C)C |