| SpectraBase Compound ID | 75Y2XkDWjm4 |
|---|---|
| InChI | InChI=1S/C13H12ClN5/c1-7-15-11-12(16-7)17-8(2)18-13(11)19-10-6-4-3-5-9(10)14/h3-6H,1-2H3,(H2,15,16,17,18,19) |
| InChIKey | AUEHTEGPSDVSGY-UHFFFAOYSA-N |
| Mol Weight | 273.73 g/mol |
| Molecular Formula | C13H12ClN5 |
| Exact Mass | 273.078123 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1RnNdrQraAQ |
|---|---|
| Name | 6-(2-Chlorophenyl)amino-2,8-dimethyl-9H-purine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.078123106 u |
| Formula | C13H12ClN5 |
| InChI | InChI=1S/C13H12ClN5/c1-7-15-11-12(16-7)17-8(2)18-13(11)19-10-6-4-3-5-9(10)14/h3-6H,1-2H3,(H2,15,16,17,18,19) |
| InChIKey | AUEHTEGPSDVSGY-UHFFFAOYSA-N |
| Molecular Weight | 273.727 g/mol |
| SMILES | C1(=NC2=C(N=C(N=C2N1)C)NC=1C(=CC=CC1)Cl)C |