| SpectraBase Compound ID | 3dR6BEQI0dl |
|---|---|
| InChI | InChI=1S/C13H18O3S/c1-12(6-5-10-14)9-11-17(15,16)13-7-3-2-4-8-13/h2-4,7-9,11-12,14H,5-6,10H2,1H3/b11-9+/t12-/m1/s1 |
| InChIKey | SLUHCGHNDOOPMS-LMMOQWNQSA-N |
| Mol Weight | 254.34 g/mol |
| Molecular Formula | C13H18O3S |
| Exact Mass | 254.097666 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1icTYDdsYIv |
|---|---|
| Name | (E,4R)-4-Methyl-6-(phenylsulfonyl)hex-5-en-1-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.097665611 u |
| Formula | C13H18O3S |
| InChI | InChI=1S/C13H18O3S/c1-12(6-5-10-14)9-11-17(15,16)13-7-3-2-4-8-13/h2-4,7-9,11-12,14H,5-6,10H2,1H3/b11-9+/t12-/m1/s1 |
| InChIKey | SLUHCGHNDOOPMS-LMMOQWNQSA-N |
| Molecular Weight | 254.344 g/mol |
| SMILES | [C@@](\C=C\S(=O)(=O)C=1C=CC=CC1)(CCCO)(C)[H] |