| SpectraBase Compound ID | 4EaBW2FTBA4 |
|---|---|
| InChI | InChI=1S/C6H14OS/c1-6(2)4-5-8(3)7/h6H,4-5H2,1-3H3 |
| InChIKey | LPQJPBDMUNOHNN-UHFFFAOYSA-N |
| Mol Weight | 134.24 g/mol |
| Molecular Formula | C6H14OS |
| Exact Mass | 134.076536 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CCMKPwyHuXL |
|---|---|
| Name | Butane, 3-methyl-1-(methylsulfinyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 134.076536244 u |
| Formula | C6H14OS |
| InChI | InChI=1S/C6H14OS/c1-6(2)4-5-8(3)7/h6H,4-5H2,1-3H3 |
| InChIKey | LPQJPBDMUNOHNN-UHFFFAOYSA-N |
| SMILES | CS(=O)CCC(C)C |