| SpectraBase Compound ID | Gkoc5g1u9qg |
|---|---|
| InChI | InChI=1S/C24H27F/c25-22-8-6-21(7-9-22)23(20-4-2-1-3-5-20)16-24-13-17-10-18(14-24)12-19(11-17)15-24/h1-9,17-19,23H,10-16H2 |
| InChIKey | APSLUXYPSBURPU-UHFFFAOYSA-N |
| Mol Weight | 334.48 g/mol |
| Molecular Formula | C24H27F |
| Exact Mass | 334.209679 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FEpe5FJgFiH |
|---|---|
| Name | 1-Adamantyl-2-(4-fluorophenyl)-2-phenylethane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.209679032 u |
| Formula | C24H27F |
| InChI | InChI=1S/C24H27F/c25-22-8-6-21(7-9-22)23(20-4-2-1-3-5-20)16-24-13-17-10-18(14-24)12-19(11-17)15-24/h1-9,17-19,23H,10-16H2 |
| InChIKey | APSLUXYPSBURPU-UHFFFAOYSA-N |
| Molecular Weight | 334.478 g/mol |
| SMILES | C1=C(C=CC(=C1)F)C(C1=CC=CC=C1)CC12CC3CC(CC(C3)C1)C2 |