| SpectraBase Compound ID | KkwA1AJB67H |
|---|---|
| InChI | InChI=1S/C12H24/c1-3-5-8-12-10-7-6-9-11(12)4-2/h11-12H,3-10H2,1-2H3/t11-,12-/m1/s1 |
| InChIKey | HQQITQVSGARNMI-VXGBXAGGSA-N |
| Mol Weight | 168.32 g/mol |
| Molecular Formula | C12H24 |
| Exact Mass | 168.187801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AnlJSW2mJq1 |
|---|---|
| Name | Cyclohexane, 1-butyl-2-ethyl-, trans- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.187800773 u |
| Formula | C12H24 |
| InChI | InChI=1S/C12H24/c1-3-5-8-12-10-7-6-9-11(12)4-2/h11-12H,3-10H2,1-2H3/t11-,12-/m1/s1 |
| InChIKey | HQQITQVSGARNMI-VXGBXAGGSA-N |
| Molecular Weight | 168.324 g/mol |
| SMILES | [C@]1([C@](CCCC)(CCCC1)[H])(CC)[H] |