| SpectraBase Compound ID | 6eRxPxXVVVe |
|---|---|
| InChI | InChI=1S/C9H9N5O2/c1-5(15)13-8-7-9(11-3-10-8)14(4-12-7)6(2)16/h3-4H,1-2H3,(H,10,11,13,15) |
| InChIKey | OWRXXSJEYLRZTG-UHFFFAOYSA-N |
| Mol Weight | 219.2 g/mol |
| Molecular Formula | C9H9N5O2 |
| Exact Mass | 219.075625 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IUUHcm6MBUK |
|---|---|
| Name | Adenine, N,N'-diacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.075624548 u |
| Formula | C9H9N5O2 |
| InChI | InChI=1S/C9H9N5O2/c1-5(15)13-8-7-9(11-3-10-8)14(4-12-7)6(2)16/h3-4H,1-2H3,(H,10,11,13,15) |
| InChIKey | OWRXXSJEYLRZTG-UHFFFAOYSA-N |
| Molecular Weight | 219.204 g/mol |
| SMILES | C12=C(N(C(C)=O)C=N2)N=CN=C1NC(C)=O |