| SpectraBase Compound ID | KHS9aEhTSGH |
|---|---|
| InChI | InChI=1S/C18H28O2S/c1-17(2,3)15-11-8-12-18(16(15)19,21(4)20)13-14-9-6-5-7-10-14/h5-7,9-10,15-16,19H,8,11-13H2,1-4H3/t15-,16+,18+,21?/m1/s1 |
| InChIKey | LXAANYHATJSGGW-JFXSJQBISA-N |
| Mol Weight | 308.48 g/mol |
| Molecular Formula | C18H28O2S |
| Exact Mass | 308.181001 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 42xs8ZLjgua |
|---|---|
| Name | 2(S/R)-Benzyl-6-(t-butyl)-2(R/S)-(methylsulfinyl)cyclohexanol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H28O2S |
| InChI | InChI=1S/C18H28O2S/c1-17(2,3)15-11-8-12-18(16(15)19,21(4)20)13-14-9-6-5-7-10-14/h5-7,9-10,15-16,19H,8,11-13H2,1-4H3/t15-,16+,18+,21?/m1/s1 |
| InChIKey | LXAANYHATJSGGW-JFXSJQBISA-N |
| Molecular Weight | 308.480 g/mol |
| SMILES | O[C@@]1([C@@](S(=O)C)(Cc2ccccc2)CCC[C@]1(C(C)(C)C)[H])[H] |
| SPLASH | splash10-0a4x-9310000000-59a5ea167bfc4c96a287 |
| Source of Spectrum | Y4-88-599-10 |
| Wiley ID | 840529 |