| SpectraBase Compound ID | DypLtGy8VmQ |
|---|---|
| InChI | InChI=1S/C9H20O2S/c1-2-3-8-12(11)9-6-4-5-7-10/h10H,2-9H2,1H3 |
| InChIKey | LLMNBGGBYHAMMF-UHFFFAOYSA-N |
| Mol Weight | 192.32 g/mol |
| Molecular Formula | C9H20O2S |
| Exact Mass | 192.118401 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | eOFD5PnjBI |
|---|---|
| Name | 5-(Butane-1-sulfinyl)pentan-1-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.118401056 u |
| Formula | C9H20O2S |
| InChI | InChI=1S/C9H20O2S/c1-2-3-8-12(11)9-6-4-5-7-10/h10H,2-9H2,1H3 |
| InChIKey | LLMNBGGBYHAMMF-UHFFFAOYSA-N |
| Molecular Weight | 192.317 g/mol |
| SMILES | C(CCCCO)S(CCCC)=O |