| SpectraBase Compound ID | 4bFR9MJxqYu |
|---|---|
| InChI | InChI=1S/C18H28/c1-2-3-4-6-9-16-12-14-18(15-13-16)17-10-7-5-8-11-17/h5,7-8,10-11,16,18H,2-4,6,9,12-15H2,1H3/t16-,18- |
| InChIKey | QYGIOYGZDDSCAJ-SAABIXHNSA-N |
| Mol Weight | 244.42 g/mol |
| Molecular Formula | C18H28 |
| Exact Mass | 244.219101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FgbeB3CqoyM |
|---|---|
| Name | (4-Hexylcyclohexyl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.219100902 u |
| Formula | C18H28 |
| InChI | InChI=1S/C18H28/c1-2-3-4-6-9-16-12-14-18(15-13-16)17-10-7-5-8-11-17/h5,7-8,10-11,16,18H,2-4,6,9,12-15H2,1H3/t16-,18- |
| InChIKey | QYGIOYGZDDSCAJ-SAABIXHNSA-N |
| Molecular Weight | 244.422 g/mol |
| SMILES | [C@]1(C=2C=CC=CC2)(CC[C@](CC1)(CCCCCC)[H])[H] |