![1-Propene, 3-[(1-methylethyl)thio]-](/api/spectrum/JppfnhTDWlU/structure.png?h=300&w=458 "1-Propene, 3-[(1-methylethyl)thio]-")
| SpectraBase Compound ID | DKjOvGRFLEX |
|---|---|
| InChI | InChI=1S/C6H12S/c1-4-5-7-6(2)3/h4,6H,1,5H2,2-3H3 |
| InChIKey | OJBPXSILEFOOQD-UHFFFAOYSA-N |
| Mol Weight | 116.22 g/mol |
| Molecular Formula | C6H12S |
| Exact Mass | 116.065972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JppfnhTDWlU |
|---|---|
| Name | 1-Propene, 3-[(1-methylethyl)thio]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 116.065971560 u |
| Formula | C6H12S |
| InChI | InChI=1S/C6H12S/c1-4-5-7-6(2)3/h4,6H,1,5H2,2-3H3 |
| InChIKey | OJBPXSILEFOOQD-UHFFFAOYSA-N |
| Molecular Weight | 116.222 g/mol |
| SMILES | C(SCC=C)(C)C |