| SpectraBase Compound ID | 6Y7ncUlDOB7 |
|---|---|
| InChI | InChI=1S/C14H22OS/c1-2-3-4-6-9-13(15)12-16-14-10-7-5-8-11-14/h5,7-8,10-11,13,15H,2-4,6,9,12H2,1H3 |
| InChIKey | BLUFTJJNSIDBPB-UHFFFAOYSA-N |
| Mol Weight | 238.39 g/mol |
| Molecular Formula | C14H22OS |
| Exact Mass | 238.139137 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IObL3JgSEWW |
|---|---|
| Name | 1-Phenylsulfanyloctan-2-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.139136501 u |
| Formula | C14H22OS |
| InChI | InChI=1S/C14H22OS/c1-2-3-4-6-9-13(15)12-16-14-10-7-5-8-11-14/h5,7-8,10-11,13,15H,2-4,6,9,12H2,1H3 |
| InChIKey | BLUFTJJNSIDBPB-UHFFFAOYSA-N |
| Molecular Weight | 238.389 g/mol |
| SMILES | C=1(SCC(O)CCCCCC)C=CC=CC1 |