| SpectraBase Compound ID | 9pc3Dxlsgvh |
|---|---|
| InChI | InChI=1S/C18H20N4O/c1-12-11-13(2)20-18(19-12)22-17(23)16(14(3)21-22)10-9-15-7-5-4-6-8-15/h4-8,11,23H,9-10H2,1-3H3 |
| InChIKey | MNFFICJIDDLAAP-UHFFFAOYSA-N |
| Mol Weight | 308.38 g/mol |
| Molecular Formula | C18H20N4O |
| Exact Mass | 308.163711 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4I7o1x6Gy3Q |
|---|---|
| Name | 1H-Pyrazol-5-ol, 1-(4,6-dimethyl-2-pyrimidinyl)-3-methyl-4-(2-phenylethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.163711279 u |
| Formula | C18H20N4O |
| InChI | InChI=1S/C18H20N4O/c1-12-11-13(2)20-18(19-12)22-17(23)16(14(3)21-22)10-9-15-7-5-4-6-8-15/h4-8,11,23H,9-10H2,1-3H3 |
| InChIKey | MNFFICJIDDLAAP-UHFFFAOYSA-N |
| SMILES | OC=1N(C=2N=C(C)C=C(N2)C)N=C(C)C1CCC1=CC=CC=C1 |