| SpectraBase Compound ID | Bm7qtOHHdN7 |
|---|---|
| InChI | InChI=1S/C12H18S/c1-3-4-8-11(2)13-12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3 |
| InChIKey | YVEXMCBQNOKZBF-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 | HjS79Atd38x |
|---|---|
| Name | 2-Hexyl phenyl sulfide |
| 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/c1-3-4-8-11(2)13-12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3 |
| InChIKey | YVEXMCBQNOKZBF-UHFFFAOYSA-N |
| Molecular Weight | 194.336 g/mol |
| SMILES | C1(SC(CCCC)C)=CC=CC=C1 |