| SpectraBase Compound ID | D2bvDusrFrs |
|---|---|
| InChI | InChI=1S/C20H22O3/c1-14(21)23-20-18(16-10-6-3-7-11-16)13-12-17(19(20)22)15-8-4-2-5-9-15/h2-11,17-20,22H,12-13H2,1H3 |
| InChIKey | RRGRXDIGPVAQIW-UHFFFAOYSA-N |
| Mol Weight | 310.39 g/mol |
| Molecular Formula | C20H22O3 |
| Exact Mass | 310.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3HNN2UBYGOJ |
|---|---|
| Name | (2-Hydroxy-3,6-diphenylcyclohexyl) acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.156894565 u |
| Formula | C20H22O3 |
| InChI | InChI=1S/C20H22O3/c1-14(21)23-20-18(16-10-6-3-7-11-16)13-12-17(19(20)22)15-8-4-2-5-9-15/h2-11,17-20,22H,12-13H2,1H3 |
| InChIKey | RRGRXDIGPVAQIW-UHFFFAOYSA-N |
| Molecular Weight | 310.393 g/mol |
| SMILES | C(=O)(OC1C(C(CCC1C1=CC=CC=C1)C1=CC=CC=C1)O)C |