![Trans-2-methyl-3-phenylbicyclo[2.2.2]octane](/api/spectrum/A4jfHGVKysP/structure.png?h=300&w=458 "Trans-2-methyl-3-phenylbicyclo[2.2.2]octane")
| SpectraBase Compound ID | 59kepNOtqJV |
|---|---|
| InChI | InChI=1S/C15H20/c1-11-12-7-9-14(10-8-12)15(11)13-5-3-2-4-6-13/h2-6,11-12,14-15H,7-10H2,1H3/t11-,12-,14+,15-/m1/s1 |
| InChIKey | FVOSCBJLWOLRMX-RJZRQDKASA-N |
| Mol Weight | 200.32 g/mol |
| Molecular Formula | C15H20 |
| Exact Mass | 200.156501 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A4jfHGVKysP |
|---|---|
| Name | Trans-2-methyl-3-phenylbicyclo[2.2.2]octane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.156500644 u |
| Formula | C15H20 |
| InChI | InChI=1S/C15H20/c1-11-12-7-9-14(10-8-12)15(11)13-5-3-2-4-6-13/h2-6,11-12,14-15H,7-10H2,1H3/t11-,12-,14+,15-/m1/s1 |
| InChIKey | FVOSCBJLWOLRMX-RJZRQDKASA-N |
| Molecular Weight | 200.325 g/mol |
| SMILES | [C@]1([C@@]([C@]2(CC[C@@]1(CC2)[H])[H])(C)[H])(C1=CC=CC=C1)[H] |