| SpectraBase Compound ID | 5hklC4FNU2M |
|---|---|
| InChI | InChI=1S/C7H8ClN5/c1-2-13-3-10-4-5(8)11-7(9)12-6(4)13/h3H,2H2,1H3,(H2,9,11,12) |
| InChIKey | JPZZEUPWYWLDAK-UHFFFAOYSA-N |
| Mol Weight | 197.63 g/mol |
| Molecular Formula | C7H8ClN5 |
| Exact Mass | 197.046823 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ZryPnomcOC |
|---|---|
| Name | 2-Amino-6-chloro-N(9)-ethylpurine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.046822978 u |
| Formula | C7H8ClN5 |
| InChI | InChI=1S/C7H8ClN5/c1-2-13-3-10-4-5(8)11-7(9)12-6(4)13/h3H,2H2,1H3,(H2,9,11,12) |
| InChIKey | JPZZEUPWYWLDAK-UHFFFAOYSA-N |
| SMILES | C=12C(N=CN2CC)=C(Cl)N=C(N1)N |