| SpectraBase Compound ID | E9Rs6fy7D00 |
|---|---|
| InChI | InChI=1S/C18H13FN4/c1-23-17(13-5-3-2-4-6-13)22-16-15(20-11-21-18(16)23)12-7-9-14(19)10-8-12/h2-11H,1H3 |
| InChIKey | APSGTHMDNZQPMY-UHFFFAOYSA-N |
| Mol Weight | 304.33 g/mol |
| Molecular Formula | C18H13FN4 |
| Exact Mass | 304.112425 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | uDEP7YSzpG |
|---|---|
| Name | 9-Methyl-8-phenyl-6-(p-fluorophenyl)-9H-purine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.112424598 u |
| Formula | C18H13FN4 |
| InChI | InChI=1S/C18H13FN4/c1-23-17(13-5-3-2-4-6-13)22-16-15(20-11-21-18(16)23)12-7-9-14(19)10-8-12/h2-11H,1H3 |
| InChIKey | APSGTHMDNZQPMY-UHFFFAOYSA-N |
| Molecular Weight | 304.328 g/mol |
| SMILES | C1=2N=C(C3=CC=CC=C3)N(C1=NC=NC2C1=CC=C(C=C1)F)C |