| SpectraBase Compound ID | BjPJ1bzLssJ |
|---|---|
| InChI | InChI=1S/C12H18OS/c1-2-3-7-11(13)10-14-12-8-5-4-6-9-12/h4-6,8-9,11,13H,2-3,7,10H2,1H3 |
| InChIKey | FNTWNQDKVKOWDH-UHFFFAOYSA-N |
| Mol Weight | 210.33 g/mol |
| Molecular Formula | C12H18OS |
| Exact Mass | 210.107836 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H9ynLkVdikl |
|---|---|
| Name | 1-(Phenylthio)-2-hexanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.107836373 u |
| Formula | C12H18OS |
| InChI | InChI=1S/C12H18OS/c1-2-3-7-11(13)10-14-12-8-5-4-6-9-12/h4-6,8-9,11,13H,2-3,7,10H2,1H3 |
| InChIKey | FNTWNQDKVKOWDH-UHFFFAOYSA-N |
| Molecular Weight | 210.335 g/mol |
| SMILES | C(C(CCCC)O)SC=1C=CC=CC1 |