| SpectraBase Compound ID | 3MgZ5WTd83a |
|---|---|
| InChI | InChI=1S/C20H26O2/c21-14-17(13-15-7-2-1-3-8-15)20(22)19-12-6-10-16-9-4-5-11-18(16)19/h4-6,9-12,15,17,20-22H,1-3,7-8,13-14H2 |
| InChIKey | KDFQUYWKDZRPOI-UHFFFAOYSA-N |
| Mol Weight | 298.43 g/mol |
| Molecular Formula | C20H26O2 |
| Exact Mass | 298.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1jCM0AoPcb |
|---|---|
| Name | 2-(Cyclohexylmethyl)-1-(1-naphthyl)propane-1,3-diol (1:3 syn/anti mixture) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.193280075 u |
| Formula | C20H26O2 |
| InChI | InChI=1S/C20H26O2/c21-14-17(13-15-7-2-1-3-8-15)20(22)19-12-6-10-16-9-4-5-11-18(16)19/h4-6,9-12,15,17,20-22H,1-3,7-8,13-14H2 |
| InChIKey | KDFQUYWKDZRPOI-UHFFFAOYSA-N |
| SMILES | C=1(C(C(CC2CCCCC2)CO)O)C=2C(=CC=CC2)C=CC1 |