| SpectraBase Compound ID | 3eMq7p0PRZP |
|---|---|
| InChI | InChI=1S/C19H16N4O/c1-14-21-18-17(23(13-20-18)16-10-6-3-7-11-16)19(24)22(14)12-15-8-4-2-5-9-15/h2-11,13H,12H2,1H3 |
| InChIKey | IHUIBZRSQQIDMU-UHFFFAOYSA-N |
| Mol Weight | 316.36 g/mol |
| Molecular Formula | C19H16N4O |
| Exact Mass | 316.132411 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bfad6tBs1vX |
|---|---|
| Name | 1-Benzyl-2-methyl-7-phenyl-purin-6-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.132411150 u |
| Formula | C19H16N4O |
| InChI | InChI=1S/C19H16N4O/c1-14-21-18-17(23(13-20-18)16-10-6-3-7-11-16)19(24)22(14)12-15-8-4-2-5-9-15/h2-11,13H,12H2,1H3 |
| InChIKey | IHUIBZRSQQIDMU-UHFFFAOYSA-N |
| Molecular Weight | 316.364 g/mol |
| SMILES | C1(=O)C2=C(N=C(N1CC1=CC=CC=C1)C)N=CN2C1=CC=CC=C1 |