| SpectraBase Compound ID | JJf08wjEhZY |
|---|---|
| InChI | InChI=1S/C18H36/c1-3-5-7-9-12-17-14-11-15-18(16-17)13-10-8-6-4-2/h17-18H,3-16H2,1-2H3/t17-,18+ |
| InChIKey | IPIWLBZSVXIZGG-HDICACEKSA-N |
| Mol Weight | 252.5 g/mol |
| Molecular Formula | C18H36 |
| Exact Mass | 252.281701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5slsUiMOiv |
|---|---|
| Name | cis-1,3-di(N-Hexyl)cyclohexane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.281701159 u |
| Formula | C18H36 |
| InChI | InChI=1S/C18H36/c1-3-5-7-9-12-17-14-11-15-18(16-17)13-10-8-6-4-2/h17-18H,3-16H2,1-2H3/t17-,18+ |
| InChIKey | IPIWLBZSVXIZGG-HDICACEKSA-N |
| Molecular Weight | 252.486 g/mol |
| SMILES | C1[C@](C[C@](CC1)(CCCCCC)[H])(CCCCCC)[H] |