| SpectraBase Compound ID | 3DJzvUkVBFf |
|---|---|
| InChI | InChI=1S/C11H8ClN5/c12-7-2-1-3-8(4-7)17-11-9-10(14-5-13-9)15-6-16-11/h1-6H,(H2,13,14,15,16,17) |
| InChIKey | COGLJXZAQUPABI-UHFFFAOYSA-N |
| Mol Weight | 245.67 g/mol |
| Molecular Formula | C11H8ClN5 |
| Exact Mass | 245.046823 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9TiywS0nWIA |
|---|---|
| Name | N-(3-Chlorophenyl)-7H-purin-6-amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.046822978 u |
| Formula | C11H8ClN5 |
| InChI | InChI=1S/C11H8ClN5/c12-7-2-1-3-8(4-7)17-11-9-10(14-5-13-9)15-6-16-11/h1-6H,(H2,13,14,15,16,17) |
| InChIKey | COGLJXZAQUPABI-UHFFFAOYSA-N |
| Molecular Weight | 245.673 g/mol |
| SMILES | C1(Cl)=CC(=CC=C1)NC1=NC=NC2=C1NC=N2 |