| SpectraBase Compound ID | Jcsp46mH9c3 |
|---|---|
| InChI | InChI=1S/C8H9ClN4/c1-5(2)13-4-12-8-6(13)7(9)10-3-11-8/h3-5H,1-2H3 |
| InChIKey | LZHFABRLDZWHQZ-UHFFFAOYSA-N |
| Mol Weight | 196.64 g/mol |
| Molecular Formula | C8H9ClN4 |
| Exact Mass | 196.051574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LnvXH2d3UvF |
|---|---|
| Name | 6-Chloropurine, N-isopropyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.051574006 u |
| Formula | C8H9ClN4 |
| InChI | InChI=1S/C8H9ClN4/c1-5(2)13-4-12-8-6(13)7(9)10-3-11-8/h3-5H,1-2H3 |
| InChIKey | LZHFABRLDZWHQZ-UHFFFAOYSA-N |
| SMILES | C12=C(N=CN=C2N=CN1C(C)C)Cl |