| SpectraBase Compound ID | LjJYapU9QjU |
|---|---|
| InChI | InChI=1S/C10H22OS/c1-9(2)5-7-12(11)8-6-10(3)4/h9-10H,5-8H2,1-4H3 |
| InChIKey | WXYDKGMJJFFORR-UHFFFAOYSA-N |
| Mol Weight | 190.34 g/mol |
| Molecular Formula | C10H22OS |
| Exact Mass | 190.139137 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DYlVakbL9dC |
|---|---|
| Name | Isopentyl sulfoxide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.139136501 u |
| Formula | C10H22OS |
| InChI | InChI=1S/C10H22OS/c1-9(2)5-7-12(11)8-6-10(3)4/h9-10H,5-8H2,1-4H3 |
| InChIKey | WXYDKGMJJFFORR-UHFFFAOYSA-N |
| Molecular Weight | 190.345 g/mol |
| SMILES | CC(CCS(=O)CCC(C)C)C |