| SpectraBase Compound ID | 2fcrxmCxFiX |
|---|---|
| InChI | InChI=1S/C7H7ClN4/c1-2-12-4-11-7-5(12)6(8)9-3-10-7/h3-4H,2H2,1H3 |
| InChIKey | QNWWPYQXXWKSSU-UHFFFAOYSA-N |
| Mol Weight | 182.61 g/mol |
| Molecular Formula | C7H7ClN4 |
| Exact Mass | 182.035924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4bodzKo89Zi |
|---|---|
| Name | 6-Chloropurine, N-ethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.035923941 u |
| Formula | C7H7ClN4 |
| InChI | InChI=1S/C7H7ClN4/c1-2-12-4-11-7-5(12)6(8)9-3-10-7/h3-4H,2H2,1H3 |
| InChIKey | QNWWPYQXXWKSSU-UHFFFAOYSA-N |
| Molecular Weight | 182.614 g/mol |
| SMILES | C12=C(N=CN=C2N=CN1CC)Cl |