| SpectraBase Compound ID | A0xekXBzKJU |
|---|---|
| InChI | InChI=1S/C16H28/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h12-16H,2-11H2,1H3/b13-12- |
| InChIKey | PPUBIAGVZQXFTH-SEYXRHQNSA-N |
| Mol Weight | 220.4 g/mol |
| Molecular Formula | C16H28 |
| Exact Mass | 220.219101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GbwKGIpwRBm |
|---|---|
| Name | 1,3-di(Cyclohexyl)but-1-ene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.219100902 u |
| Formula | C16H28 |
| InChI | InChI=1S/C16H28/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h12-16H,2-11H2,1H3/b13-12- |
| InChIKey | PPUBIAGVZQXFTH-SEYXRHQNSA-N |
| Molecular Weight | 220.400 g/mol |
| SMILES | C(\C=C/C1CCCCC1)(C1CCCCC1)C |