| SpectraBase Compound ID | 2FUDGxBTPjm |
|---|---|
| InChI | InChI=1S/C12H26O2S/c1-2-3-4-5-6-8-11-15(14)12-9-7-10-13/h13H,2-12H2,1H3 |
| InChIKey | JGOJUXYAQVPKQL-UHFFFAOYSA-N |
| Mol Weight | 234.4 g/mol |
| Molecular Formula | C12H26O2S |
| Exact Mass | 234.165351 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CiX4E44JyZe |
|---|---|
| Name | 1-Butanol, 4-(octylsulfinyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.165351249 u |
| Formula | C12H26O2S |
| InChI | InChI=1S/C12H26O2S/c1-2-3-4-5-6-8-11-15(14)12-9-7-10-13/h13H,2-12H2,1H3 |
| InChIKey | JGOJUXYAQVPKQL-UHFFFAOYSA-N |
| Molecular Weight | 234.398 g/mol |
| SMILES | CCCCCCCCS(=O)CCCCO |