| SpectraBase Compound ID | 5X3YJeQ5OF4 |
|---|---|
| InChI | InChI=1S/C22H22O2/c23-21(19-7-3-1-4-8-19)15-17-11-13-18(14-12-17)16-22(24)20-9-5-2-6-10-20/h1-14,21-24H,15-16H2 |
| InChIKey | OTJUQNBWLJPSCA-UHFFFAOYSA-N |
| Mol Weight | 318.42 g/mol |
| Molecular Formula | C22H22O2 |
| Exact Mass | 318.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8noZQBdv9Fd |
|---|---|
| Name | 1,2-di(2'-Hydroxy-2'-phenylethyl)benzene diastereomer |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.161979946 u |
| Formula | C22H22O2 |
| InChI | InChI=1S/C22H22O2/c23-21(19-7-3-1-4-8-19)15-17-11-13-18(14-12-17)16-22(24)20-9-5-2-6-10-20/h1-14,21-24H,15-16H2 |
| InChIKey | OTJUQNBWLJPSCA-UHFFFAOYSA-N |
| Molecular Weight | 318.416 g/mol |
| SMILES | C(CC=1C=CC(CC(C=2C=CC=CC2)O)=CC1)(C1=CC=CC=C1)O |