| SpectraBase Compound ID | 9LZKcdF56mL |
|---|---|
| InChI | InChI=1S/C16H18S/c1-13-7-9-15(10-8-13)11-17-12-16-6-4-3-5-14(16)2/h3-10H,11-12H2,1-2H3 |
| InChIKey | JCTKECHNFPQOTK-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 | AnQu6Y8ifzt |
|---|---|
| Name | 1-Methyl-2-(p-tolylmethylsulfanylmethyl)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/c1-13-7-9-15(10-8-13)11-17-12-16-6-4-3-5-14(16)2/h3-10H,11-12H2,1-2H3 |
| InChIKey | JCTKECHNFPQOTK-UHFFFAOYSA-N |
| Molecular Weight | 242.380 g/mol |
| SMILES | C=1(C(C)=CC=CC1)CSCC=1C=CC(=CC1)C |