| SpectraBase Compound ID | 8QFiRw87ysi |
|---|---|
| InChI | InChI=1S/C18H14N4O/c1-21-17(13-8-4-2-5-9-13)20-16-15(18(21)23)22(12-19-16)14-10-6-3-7-11-14/h2-12H,1H3 |
| InChIKey | AUIGDIQOICFMEA-UHFFFAOYSA-N |
| Mol Weight | 302.34 g/mol |
| Molecular Formula | C18H14N4O |
| Exact Mass | 302.116761 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BKbrd1IqJLM |
|---|---|
| Name | 6H-Purin-6-one, 1,7-dihydro-1-methyl-2,7-diphenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.116761086 u |
| Formula | C18H14N4O |
| InChI | InChI=1S/C18H14N4O/c1-21-17(13-8-4-2-5-9-13)20-16-15(18(21)23)22(12-19-16)14-10-6-3-7-11-14/h2-12H,1H3 |
| InChIKey | AUIGDIQOICFMEA-UHFFFAOYSA-N |
| Molecular Weight | 302.337 g/mol |
| SMILES | C12=C(N=C(N(C2=O)C)C=2C=CC=CC2)N=CN1C1=CC=CC=C1 |