| SpectraBase Compound ID | 7HFsaWjCF6S |
|---|---|
| InChI | InChI=1S/C12H18OS/c1-11(13)7-5-6-10-14-12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3/t11-/m0/s1 |
| InChIKey | VMIZDRUMHQUDIQ-NSHDSACASA-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 | EnGXmHNbUGF |
|---|---|
| Name | (S)-6-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/c1-11(13)7-5-6-10-14-12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3/t11-/m0/s1 |
| InChIKey | VMIZDRUMHQUDIQ-NSHDSACASA-N |
| Molecular Weight | 210.335 g/mol |
| SMILES | C=1(SCCCC[C@@](O)(C)[H])C=CC=CC1 |