![(4-Chloro-benzyl)-(1-methyl-1H-pyrazolo[3,4-D]pyrimidin-4-yl)-amine](/api/spectrum/D9qCJ5sjTjI/structure.png?h=300&w=458 "(4-Chloro-benzyl)-(1-methyl-1H-pyrazolo[3,4-D]pyrimidin-4-yl)-amine")
| SpectraBase Compound ID | 59Pw9mAZHhX |
|---|---|
| InChI | InChI=1S/C13H12ClN5/c1-19-13-11(7-18-19)12(16-8-17-13)15-6-9-2-4-10(14)5-3-9/h2-5,7-8H,6H2,1H3,(H,15,16,17) |
| InChIKey | JMHQWHUUDRUTPU-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 | D9qCJ5sjTjI |
|---|---|
| Name | (4-Chloro-benzyl)-(1-methyl-1H-pyrazolo[3,4-D]pyrimidin-4-yl)-amine |
| 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/c1-19-13-11(7-18-19)12(16-8-17-13)15-6-9-2-4-10(14)5-3-9/h2-5,7-8H,6H2,1H3,(H,15,16,17) |
| InChIKey | JMHQWHUUDRUTPU-UHFFFAOYSA-N |
| SMILES | C(NC1=C2C(N(C)N=C2)=NC=N1)C1=CC=C(C=C1)Cl |