| SpectraBase Compound ID | K6ZgBIvqRYa |
|---|---|
| InChI | InChI=1S/C10H14ClN5/c1-2-3-4-5-16-6-13-9-7(16)8(11)14-10(12)15-9/h6H,2-5H2,1H3,(H2,12,14,15) |
| InChIKey | ZCWXLJBIYVSUDH-UHFFFAOYSA-N |
| Mol Weight | 239.71 g/mol |
| Molecular Formula | C10H14ClN5 |
| Exact Mass | 239.093773 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ujGdImxhmb |
|---|---|
| Name | 2-Amino-6-chloro-7-pentylpurine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.093773171 u |
| Formula | C10H14ClN5 |
| InChI | InChI=1S/C10H14ClN5/c1-2-3-4-5-16-6-13-9-7(16)8(11)14-10(12)15-9/h6H,2-5H2,1H3,(H2,12,14,15) |
| InChIKey | ZCWXLJBIYVSUDH-UHFFFAOYSA-N |
| Molecular Weight | 239.710 g/mol |
| SMILES | C1=2N=C(N=C(C2N(CCCCC)C=N1)Cl)N |