| SpectraBase Compound ID | AManS8ZHcBE |
|---|---|
| InChI | InChI=1S/C14H20OS/c1-11(2)9-10-14(12(3)15)16-13-7-5-4-6-8-13/h4-9,12,14-15H,10H2,1-3H3 |
| InChIKey | QEAZQILUOSRCEN-UHFFFAOYSA-N |
| Mol Weight | 236.37 g/mol |
| Molecular Formula | C14H20OS |
| Exact Mass | 236.123486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8tObIsQGB6U |
|---|---|
| Name | 5-Hepten-2-ol, 6-methyl-3-(phenylthio)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.123486437 u |
| Formula | C14H20OS |
| InChI | InChI=1S/C14H20OS/c1-11(2)9-10-14(12(3)15)16-13-7-5-4-6-8-13/h4-9,12,14-15H,10H2,1-3H3 |
| InChIKey | QEAZQILUOSRCEN-UHFFFAOYSA-N |
| Molecular Weight | 236.373 g/mol |
| SMILES | C(SC1=CC=CC=C1)(CC=C(C)C)C(O)C |