| SpectraBase Compound ID | EIOmFImANJx |
|---|---|
| InChI | InChI=1S/C13H20OS/c1-11(2)8-9-13(10-14)15-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3 |
| InChIKey | BALHUZIZYQQZQQ-UHFFFAOYSA-N |
| Mol Weight | 224.36 g/mol |
| Molecular Formula | C13H20OS |
| Exact Mass | 224.123486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7zqdZ0upqu3 |
|---|---|
| Name | 1-Hexanol, 5-methyl-2-(phenylthio)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.123486437 u |
| Formula | C13H20OS |
| InChI | InChI=1S/C13H20OS/c1-11(2)8-9-13(10-14)15-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3 |
| InChIKey | BALHUZIZYQQZQQ-UHFFFAOYSA-N |
| Molecular Weight | 224.362 g/mol |
| SMILES | C=1(SC(CCC(C)C)CO)C=CC=CC1 |