![1-Propanethiol, 3-[[(4-methylphenyl)methyl]thio]-](/api/spectrum/Ds0H3zeBqpW/structure.png?h=300&w=458 "1-Propanethiol, 3-[[(4-methylphenyl)methyl]thio]-")
| SpectraBase Compound ID | 4LGgeLGgHju |
|---|---|
| InChI | InChI=1S/C11H16S2/c1-10-3-5-11(6-4-10)9-13-8-2-7-12/h3-6,12H,2,7-9H2,1H3 |
| InChIKey | SUODLSYTTMNQOI-UHFFFAOYSA-N |
| Mol Weight | 212.37 g/mol |
| Molecular Formula | C11H16S2 |
| Exact Mass | 212.069343 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ds0H3zeBqpW |
|---|---|
| Name | 1-Propanethiol, 3-[[(4-methylphenyl)methyl]thio]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.069342863 u |
| Formula | C11H16S2 |
| InChI | InChI=1S/C11H16S2/c1-10-3-5-11(6-4-10)9-13-8-2-7-12/h3-6,12H,2,7-9H2,1H3 |
| InChIKey | SUODLSYTTMNQOI-UHFFFAOYSA-N |
| Molecular Weight | 212.369 g/mol |
| SMILES | C(S)CCSCC1=CC=C(C=C1)C |