| SpectraBase Compound ID | H3lAoGsTBi7 |
|---|---|
| InChI | InChI=1S/C14H14ClN5/c1-7-6-10(15)4-5-11(7)20-14-12-13(17-8(2)16-12)18-9(3)19-14/h4-6H,1-3H3,(H2,16,17,18,19,20) |
| InChIKey | KTSOMROLFVXPEW-UHFFFAOYSA-N |
| Mol Weight | 287.75 g/mol |
| Molecular Formula | C14H14ClN5 |
| Exact Mass | 287.093773 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9eqFLKOoHB5 |
|---|---|
| Name | (4-Chloro-2-methyl-phenyl)-(2,8-dimethyl-7H-purin-6-yl)amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.093773171 u |
| Formula | C14H14ClN5 |
| InChI | InChI=1S/C14H14ClN5/c1-7-6-10(15)4-5-11(7)20-14-12-13(17-8(2)16-12)18-9(3)19-14/h4-6H,1-3H3,(H2,16,17,18,19,20) |
| InChIKey | KTSOMROLFVXPEW-UHFFFAOYSA-N |
| SMILES | C1(=NC2=C(N=C(N=C2N1)C)NC=1C(=CC(=CC1)Cl)C)C |