| SpectraBase Compound ID | 81v7w5c6sdW |
|---|---|
| InChI | InChI=1S/C19H28S/c1-13(2)18-9-7-6-8-17(18)12-20-19-15(4)10-14(3)11-16(19)5/h10-11,17-18H,1,6-9,12H2,2-5H3/t17-,18+/m0/s1 |
| InChIKey | VHCAATXCRXEPQO-ZWKOTPCHSA-N |
| Mol Weight | 288.49 g/mol |
| Molecular Formula | C19H28S |
| Exact Mass | 288.191172 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ZT7gzZtSKL |
|---|---|
| Name | cis-1-((Mesitylthio)methyl)-2-(2-propenyl)cyclohexane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.191172076 u |
| Formula | C19H28S |
| InChI | InChI=1S/C19H28S/c1-13(2)18-9-7-6-8-17(18)12-20-19-15(4)10-14(3)11-16(19)5/h10-11,17-18H,1,6-9,12H2,2-5H3/t17-,18+/m0/s1 |
| InChIKey | VHCAATXCRXEPQO-ZWKOTPCHSA-N |
| SMILES | C=1(SC[C@]2([C@@](C(=C)C)(CCCC2)[H])[H])C(=CC(=CC1C)C)C |