| SpectraBase Compound ID | ELKTyF8P41S |
|---|---|
| InChI | InChI=1S/C14H22OS/c1-4-5-11-13(15)14(2,3)16-12-9-7-6-8-10-12/h6-10,13,15H,4-5,11H2,1-3H3 |
| InChIKey | WHKHHRSSPMAOSR-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 | 3eLfzALZuUU |
|---|---|
| Name | 2-Methyl-2-(thiophenyl)-heptan-3-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/c1-4-5-11-13(15)14(2,3)16-12-9-7-6-8-10-12/h6-10,13,15H,4-5,11H2,1-3H3 |
| InChIKey | WHKHHRSSPMAOSR-UHFFFAOYSA-N |
| Molecular Weight | 238.389 g/mol |
| SMILES | C(C(CCCC)O)(C)(SC1=CC=CC=C1)C |