| SpectraBase Compound ID | 7YZEIboCIST |
|---|---|
| InChI | InChI=1S/C9H11ClN4/c1-2-3-4-14-6-13-9-7(14)8(10)11-5-12-9/h5-6H,2-4H2,1H3 |
| InChIKey | MZNBCYAOOZBFEC-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 | 47HkLYKtgv5 |
|---|---|
| Name | 6-Chloropurine, N-(N-butyl)- |
| 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/c1-2-3-4-14-6-13-9-7(14)8(10)11-5-12-9/h5-6H,2-4H2,1H3 |
| InChIKey | MZNBCYAOOZBFEC-UHFFFAOYSA-N |
| Molecular Weight | 210.668 g/mol |
| SMILES | C12=C(N=CN=C2N=CN1CCCC)Cl |