| SpectraBase Compound ID | 7BlYBGTXYAu |
|---|---|
| InChI | InChI=1S/C18H13ClN4/c19-16-15-18(22-17(21-16)14-9-5-2-6-10-14)23(12-20-15)11-13-7-3-1-4-8-13/h1-10,12H,11H2 |
| InChIKey | ABGRSMRFORNOOE-UHFFFAOYSA-N |
| Mol Weight | 320.78 g/mol |
| Molecular Formula | C18H13ClN4 |
| Exact Mass | 320.082874 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dc47K6amy3p |
|---|---|
| Name | 6-Chloranyl-2-phenyl-9-(phenylmethyl)purine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.082874135 u |
| Formula | C18H13ClN4 |
| InChI | InChI=1S/C18H13ClN4/c19-16-15-18(22-17(21-16)14-9-5-2-6-10-14)23(12-20-15)11-13-7-3-1-4-8-13/h1-10,12H,11H2 |
| InChIKey | ABGRSMRFORNOOE-UHFFFAOYSA-N |
| Molecular Weight | 320.783 g/mol |
| SMILES | C=12C(N=CN2CC=2C=CC=CC2)=C(Cl)N=C(N1)C1=CC=CC=C1 |