| SpectraBase Compound ID | JQvHemdvpFS |
|---|---|
| InChI | InChI=1S/C11H14ClN5O2/c1-7(18)19-5-3-2-4-17-6-14-8-9(12)15-11(13)16-10(8)17/h6H,2-5H2,1H3,(H2,13,15,16) |
| InChIKey | RJJMQHGCRRJLGV-UHFFFAOYSA-N |
| Mol Weight | 283.72 g/mol |
| Molecular Formula | C11H14ClN5O2 |
| Exact Mass | 283.083602 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FGMVSuq0m1q |
|---|---|
| Name | 9-(4-Acetoxybutyl)-2-amino-6-chloropurine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.083602409 u |
| Formula | C11H14ClN5O2 |
| InChI | InChI=1S/C11H14ClN5O2/c1-7(18)19-5-3-2-4-17-6-14-8-9(12)15-11(13)16-10(8)17/h6H,2-5H2,1H3,(H2,13,15,16) |
| InChIKey | RJJMQHGCRRJLGV-UHFFFAOYSA-N |
| SMILES | C1=2N=C(N=C(C2N=CN1CCCCOC(=O)C)Cl)N |