| SpectraBase Compound ID | Jr6sKjMuQg3 |
|---|---|
| InChI | InChI=1S/C8H18OS/c1-3-4-5-6-7-8-10(2)9/h3-8H2,1-2H3 |
| InChIKey | MBFGZXIXXIHKHO-UHFFFAOYSA-N |
| Mol Weight | 162.29 g/mol |
| Molecular Formula | C8H18OS |
| Exact Mass | 162.107836 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7KLhzwm0EpB |
|---|---|
| Name | 1-(Methylsulfinyl)-heptane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.107836373 u |
| Formula | C8H18OS |
| InChI | InChI=1S/C8H18OS/c1-3-4-5-6-7-8-10(2)9/h3-8H2,1-2H3 |
| InChIKey | MBFGZXIXXIHKHO-UHFFFAOYSA-N |
| Molecular Weight | 162.291 g/mol |
| SMILES | C(CCCCCC)S(=O)C |