![1,3,5-Trimethyl-2-[(4-methylphenyl)sulfanyl]benzene](/api/spectrum/8U7QEmGggBt/structure.png?h=300&w=458 "1,3,5-Trimethyl-2-[(4-methylphenyl)sulfanyl]benzene")
| SpectraBase Compound ID | FCiRdHUsDcu |
|---|---|
| InChI | InChI=1S/C16H18S/c1-11-5-7-15(8-6-11)17-16-13(3)9-12(2)10-14(16)4/h5-10H,1-4H3 |
| InChIKey | JHXLMRMLTBIVPY-UHFFFAOYSA-N |
| Mol Weight | 242.38 g/mol |
| Molecular Formula | C16H18S |
| Exact Mass | 242.112922 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8U7QEmGggBt |
|---|---|
| Name | 1,3,5-Trimethyl-2-[(4-methylphenyl)sulfanyl]benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.112921754 u |
| Formula | C16H18S |
| InChI | InChI=1S/C16H18S/c1-11-5-7-15(8-6-11)17-16-13(3)9-12(2)10-14(16)4/h5-10H,1-4H3 |
| InChIKey | JHXLMRMLTBIVPY-UHFFFAOYSA-N |
| Molecular Weight | 242.380 g/mol |
| SMILES | C=1(C(=C(C=C(C1)C)C)SC=1C=CC(=CC1)C)C |