| SpectraBase Compound ID | GFkoV6yaL9p |
|---|---|
| InChI | InChI=1S/C12H18S/c1-5-13-11-8-6-10(7-9-11)12(2,3)4/h6-9H,5H2,1-4H3 |
| InChIKey | KJZPEMCAEKLCFX-UHFFFAOYSA-N |
| Mol Weight | 194.34 g/mol |
| Molecular Formula | C12H18S |
| Exact Mass | 194.112922 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ERQj4tTzi35 |
|---|---|
| Name | 1-Tert-butyl-4-(ethylthio)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.112921754 u |
| Formula | C12H18S |
| InChI | InChI=1S/C12H18S/c1-5-13-11-8-6-10(7-9-11)12(2,3)4/h6-9H,5H2,1-4H3 |
| InChIKey | KJZPEMCAEKLCFX-UHFFFAOYSA-N |
| Molecular Weight | 194.336 g/mol |
| SMILES | C=1(C=CC(=CC1)C(C)(C)C)SCC |