| SpectraBase Compound ID | E2apERdVzZD |
|---|---|
| InChI | InChI=1S/C18H20N4O/c1-12-19-16(14-8-4-3-5-9-14)17-18(20-12)22(13(2)21-17)15-10-6-7-11-23-15/h3-5,8-9,15H,6-7,10-11H2,1-2H3 |
| InChIKey | BAMAJHSCVZLKOA-UHFFFAOYSA-N |
| Mol Weight | 308.39 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 | 1sPCO4llPKB |
|---|---|
| Name | 2,8-Dimethyl-9-(2-oxanyl)-6-phenylpurine |
| 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/c1-12-19-16(14-8-4-3-5-9-14)17-18(20-12)22(13(2)21-17)15-10-6-7-11-23-15/h3-5,8-9,15H,6-7,10-11H2,1-2H3 |
| InChIKey | BAMAJHSCVZLKOA-UHFFFAOYSA-N |
| Molecular Weight | 308.385 g/mol |
| SMILES | C1=2C(N(C3OCCCC3)C(=N1)C)=NC(=NC2C=1C=CC=CC1)C |