| SpectraBase Compound ID | BOfnQjf5s4g |
|---|---|
| InChI | InChI=1S/C10H13ClN4/c1-3-7(2)4-15-6-14-10-8(15)9(11)12-5-13-10/h5-7H,3-4H2,1-2H3 |
| InChIKey | QHICUHAWXAMTFT-UHFFFAOYSA-N |
| Mol Weight | 224.69 g/mol |
| Molecular Formula | C10H13ClN4 |
| Exact Mass | 224.082874 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HTFlRVSD9V7 |
|---|---|
| Name | 6-Chloropurine, N-(2-methylbutyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.082874135 u |
| Formula | C10H13ClN4 |
| InChI | InChI=1S/C10H13ClN4/c1-3-7(2)4-15-6-14-10-8(15)9(11)12-5-13-10/h5-7H,3-4H2,1-2H3 |
| InChIKey | QHICUHAWXAMTFT-UHFFFAOYSA-N |
| Molecular Weight | 224.695 g/mol |
| SMILES | C12=C(N=CN=C2N=CN1CC(CC)C)Cl |