| SpectraBase Compound ID | BnMAB4qIJd3 |
|---|---|
| InChI | InChI=1S/C15H24OS/c1-3-4-5-6-7-14(16)12-17-15-10-8-13(2)9-11-15/h8-11,14,16H,3-7,12H2,1-2H3 |
| InChIKey | XHTITJTUMPSBJO-UHFFFAOYSA-N |
| Mol Weight | 252.42 g/mol |
| Molecular Formula | C15H24OS |
| Exact Mass | 252.154787 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AszKhUbANLl |
|---|---|
| Name | 1-(p-Tolylthio)octan-2-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.154786566 u |
| Formula | C15H24OS |
| InChI | InChI=1S/C15H24OS/c1-3-4-5-6-7-14(16)12-17-15-10-8-13(2)9-11-15/h8-11,14,16H,3-7,12H2,1-2H3 |
| InChIKey | XHTITJTUMPSBJO-UHFFFAOYSA-N |
| Molecular Weight | 252.416 g/mol |
| SMILES | C=1(SCC(O)CCCCCC)C=CC(=CC1)C |