![Methyl cis-3-[ 6'-chloro-9'H-purin-9'-yl]cyclopentaneacetate](/api/spectrum/GSiDzToAAbt/structure.png?h=300&w=458 "Methyl cis-3-[ 6'-chloro-9'H-purin-9'-yl]cyclopentaneacetate")
| SpectraBase Compound ID | A1O4XXp0xeC |
|---|---|
| InChI | InChI=1S/C13H15ClN4O2/c1-20-10(19)5-8-2-3-9(4-8)18-7-17-11-12(14)15-6-16-13(11)18/h6-9H,2-5H2,1H3/t8-,9+/m1/s1 |
| InChIKey | BZOISHCVLJOUNQ-BDAKNGLRSA-N |
| Mol Weight | 294.74 g/mol |
| Molecular Formula | C13H15ClN4O2 |
| Exact Mass | 294.088353 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GSiDzToAAbt |
|---|---|
| Name | Methyl cis-3-[ 6'-chloro-9'H-purin-9'-yl]cyclopentaneacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.088353437 u |
| Formula | C13H15ClN4O2 |
| InChI | InChI=1S/C13H15ClN4O2/c1-20-10(19)5-8-2-3-9(4-8)18-7-17-11-12(14)15-6-16-13(11)18/h6-9H,2-5H2,1H3/t8-,9+/m1/s1 |
| InChIKey | BZOISHCVLJOUNQ-BDAKNGLRSA-N |
| SMILES | C1=2N(C=NC2C(Cl)=NC=N1)[C@@]1(C[C@](CC(=O)OC)(CC1)[H])[H] |