| SpectraBase Compound ID | 4sRT7hso5Mk |
|---|---|
| InChI | InChI=1S/C13H10N4O/c1-9-16-12-11(14-7-8-15-12)13(18)17(9)10-5-3-2-4-6-10/h2-8H,1H3 |
| InChIKey | WZHXCCPIICPPCT-UHFFFAOYSA-N |
| Mol Weight | 238.25 g/mol |
| Molecular Formula | C13H10N4O |
| Exact Mass | 238.085461 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6zEcrWNfqwM |
|---|---|
| Name | 2-Methyl-3-phenyl-4(3H)-pteridinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.085460957 u |
| Formula | C13H10N4O |
| InChI | InChI=1S/C13H10N4O/c1-9-16-12-11(14-7-8-15-12)13(18)17(9)10-5-3-2-4-6-10/h2-8H,1H3 |
| InChIKey | WZHXCCPIICPPCT-UHFFFAOYSA-N |
| Molecular Weight | 238.250 g/mol |
| SMILES | C=12N=CC=NC1N=C(N(C2=O)C=1C=CC=CC1)C |