![6-Chloro-7-[(p-methylphenyl)methyl]-7H-purine](/api/spectrum/6tPhZQ2VEtt/structure.png?h=300&w=458 "6-Chloro-7-[(p-methylphenyl)methyl]-7H-purine")
| SpectraBase Compound ID | Ac5ypCZnHmv |
|---|---|
| InChI | InChI=1S/C13H11ClN4/c1-9-2-4-10(5-3-9)6-18-8-17-13-11(18)12(14)15-7-16-13/h2-5,7-8H,6H2,1H3 |
| InChIKey | HBKYGEJODYMXRS-UHFFFAOYSA-N |
| Mol Weight | 258.71 g/mol |
| Molecular Formula | C13H11ClN4 |
| Exact Mass | 258.067224 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6tPhZQ2VEtt |
|---|---|
| Name | 6-Chloro-7-[(p-methylphenyl)methyl]-7H-purine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.067224070 u |
| Formula | C13H11ClN4 |
| InChI | InChI=1S/C13H11ClN4/c1-9-2-4-10(5-3-9)6-18-8-17-13-11(18)12(14)15-7-16-13/h2-5,7-8H,6H2,1H3 |
| InChIKey | HBKYGEJODYMXRS-UHFFFAOYSA-N |
| SMILES | C=12N(C=NC2=NC=NC1Cl)CC1=CC=C(C=C1)C |