| SpectraBase Compound ID | 1k3PbmBPDyN |
|---|---|
| InChI | InChI=1S/C20H22O2/c1-16(21)22-19-12-10-18(11-13-19)20(14-6-3-7-15-20)17-8-4-2-5-9-17/h2,4-5,8-13H,3,6-7,14-15H2,1H3 |
| InChIKey | PLQBXYFJOXJYQH-UHFFFAOYSA-N |
| Mol Weight | 294.39 g/mol |
| Molecular Formula | C20H22O2 |
| Exact Mass | 294.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GqBa7kK5dUg |
|---|---|
| Name | 4-(1-Phenylcyclohexyl)phenol, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.161979946 u |
| Formula | C20H22O2 |
| InChI | InChI=1S/C20H22O2/c1-16(21)22-19-12-10-18(11-13-19)20(14-6-3-7-15-20)17-8-4-2-5-9-17/h2,4-5,8-13H,3,6-7,14-15H2,1H3 |
| InChIKey | PLQBXYFJOXJYQH-UHFFFAOYSA-N |
| SMILES | C1=CC=CC(=C1)C1(CCCCC1)C1=CC=C(OC(C)=O)C=C1 |