| SpectraBase Compound ID | 45UN4ulzplt |
|---|---|
| InChI | InChI=1S/C9H13N5O3/c1-13-8(16)6-7(12-9(13)10)14(4-11-6)5-17-3-2-15/h4,15H,2-3,5H2,1H3,(H2,10,12) |
| InChIKey | YUYWPANFAWBVET-UHFFFAOYSA-N |
| Mol Weight | 239.23 g/mol |
| Molecular Formula | C9H13N5O3 |
| Exact Mass | 239.101839 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G4Jyub9vyTu |
|---|---|
| Name | 2-Amino-9-(2-hydroxyethoxymethyl)-1-methyl-6-purinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.101839296 u |
| Formula | C9H13N5O3 |
| InChI | InChI=1S/C9H13N5O3/c1-13-8(16)6-7(12-9(13)10)14(4-11-6)5-17-3-2-15/h4,15H,2-3,5H2,1H3,(H2,10,12) |
| InChIKey | YUYWPANFAWBVET-UHFFFAOYSA-N |
| Molecular Weight | 239.235 g/mol |
| SMILES | C12=C(C(=O)N(C(=N2)N)C)N=CN1COCCO |