| SpectraBase Compound ID | IufQtMDQkoF |
|---|---|
| InChI | InChI=1S/C11H9ClN6/c12-6-2-1-3-7(4-6)16-10-8-9(15-5-14-8)17-11(13)18-10/h1-5H,(H4,13,14,15,16,17,18) |
| InChIKey | ISRYURDNPNYEFT-UHFFFAOYSA-N |
| Mol Weight | 260.69 g/mol |
| Molecular Formula | C11H9ClN6 |
| Exact Mass | 260.057722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6uzYHLO5NBa |
|---|---|
| Name | N6-(3-Chlorophenyl)-7H-purine-2,6-diamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.057722014 u |
| Formula | C11H9ClN6 |
| InChI | InChI=1S/C11H9ClN6/c12-6-2-1-3-7(4-6)16-10-8-9(15-5-14-8)17-11(13)18-10/h1-5H,(H4,13,14,15,16,17,18) |
| InChIKey | ISRYURDNPNYEFT-UHFFFAOYSA-N |
| SMILES | C1(NC2=CC(=CC=C2)Cl)=NC(N)=NC2=C1NC=N2 |