| SpectraBase Compound ID | EbdMXglHoYq |
|---|---|
| InChI | InChI=1S/C7H8ClN5/c8-1-2-13-4-12-5-6(9)10-3-11-7(5)13/h3-4H,1-2H2,(H2,9,10,11) |
| InChIKey | KXIXGDZXYORBNW-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 | IAY120WhzK7 |
|---|---|
| Name | 9H-Purin-6-amine, 9-(2-chloroethyl)- |
| 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/c8-1-2-13-4-12-5-6(9)10-3-11-7(5)13/h3-4H,1-2H2,(H2,9,10,11) |
| InChIKey | KXIXGDZXYORBNW-UHFFFAOYSA-N |
| SMILES | C1=2N=CN(C2N=CN=C1N)CCCl |