| SpectraBase Compound ID | 5p0otSm4EBS |
|---|---|
| InChI | InChI=1S/C21H22N2O/c1-2-16(15-24)13-19-14-20(17-9-5-3-6-10-17)23-21(22-19)18-11-7-4-8-12-18/h3-12,14,16,24H,2,13,15H2,1H3 |
| InChIKey | RHKMPVYAMRDPDQ-UHFFFAOYSA-N |
| Mol Weight | 318.42 g/mol |
| Molecular Formula | C21H22N2O |
| Exact Mass | 318.173213 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7mLc3kxUWC0 |
|---|---|
| Name | 2-(2,6-Diphenylpyrimidin-4-ylmethyl)butan-1-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.173213335 u |
| Formula | C21H22N2O |
| InChI | InChI=1S/C21H22N2O/c1-2-16(15-24)13-19-14-20(17-9-5-3-6-10-17)23-21(22-19)18-11-7-4-8-12-18/h3-12,14,16,24H,2,13,15H2,1H3 |
| InChIKey | RHKMPVYAMRDPDQ-UHFFFAOYSA-N |
| Molecular Weight | 318.420 g/mol |
| SMILES | C(C(CC)CC1=NC(=NC(=C1)C=1C=CC=CC1)C=1C=CC=CC1)O |