| SpectraBase Compound ID | BYbQvX12Y3G |
|---|---|
| InChI | InChI=1S/C9H11ClN4/c1-6(2)3-14-5-13-9-7(14)8(10)11-4-12-9/h4-6H,3H2,1-2H3 |
| InChIKey | VWWMCDQTDFWREU-UHFFFAOYSA-N |
| Mol Weight | 210.67 g/mol |
| Molecular Formula | C9H11ClN4 |
| Exact Mass | 210.067224 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2UHmKKrqEvP |
|---|---|
| Name | 6-Chloropurine, N-(2-methylpropyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.067224070 u |
| Formula | C9H11ClN4 |
| InChI | InChI=1S/C9H11ClN4/c1-6(2)3-14-5-13-9-7(14)8(10)11-4-12-9/h4-6H,3H2,1-2H3 |
| InChIKey | VWWMCDQTDFWREU-UHFFFAOYSA-N |
| Molecular Weight | 210.668 g/mol |
| SMILES | C12=C(N=CN=C2N=CN1CC(C)C)Cl |