![2-(4'-Methoxy-4-methyl-[1,1'-biphenyl]-2-yl)pyrimidine](/api/spectrum/9iYT97K1VDg/structure.png?h=300&w=458 "2-(4'-Methoxy-4-methyl-[1,1'-biphenyl]-2-yl)pyrimidine")
| SpectraBase Compound ID | 55J0DFfKVGE |
|---|---|
| InChI | InChI=1S/C18H16N2O/c1-13-4-9-16(14-5-7-15(21-2)8-6-14)17(12-13)18-19-10-3-11-20-18/h3-12H,1-2H3 |
| InChIKey | VFFJHGHFTBTKCB-UHFFFAOYSA-N |
| Mol Weight | 276.34 g/mol |
| Molecular Formula | C18H16N2O |
| Exact Mass | 276.126263 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9iYT97K1VDg |
|---|---|
| Name | 2-(4'-Methoxy-4-methyl-[1,1'-biphenyl]-2-yl)pyrimidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.126263142 u |
| Formula | C18H16N2O |
| InChI | InChI=1S/C18H16N2O/c1-13-4-9-16(14-5-7-15(21-2)8-6-14)17(12-13)18-19-10-3-11-20-18/h3-12H,1-2H3 |
| InChIKey | VFFJHGHFTBTKCB-UHFFFAOYSA-N |
| Molecular Weight | 276.339 g/mol |
| SMILES | C=1(C=CC(=C(C1)C1=NC=CC=N1)C1=CC=C(C=C1)OC)C |