![Adenosine, 4'-de(hydroxymethyl)-4'-[N-ethylaminoformyl]-](/api/spectrum/Apb4qJbetQX/structure.png?h=300&w=458 "Adenosine, 4'-de(hydroxymethyl)-4'-[N-ethylaminoformyl]-")
| SpectraBase Compound ID | Gvhas6JKeAD |
|---|---|
| InChI | InChI=1S/C20H22N6O6/c1-2-21-18(29)15-13(27)14(28)19(32-15)26-9-25-12-16(23-8-24-17(12)26)22-7-10-3-5-11(6-4-10)20(30)31/h3-6,8-9,13-15,19,27-28H,2,7H2,1H3,(H,21,29)(H,30,31)(H,22,23,24)/t13-,14+,15-,19+/m0/s1 |
| InChIKey | ZCCXHLSGJMIKCD-QCUYGVNKSA-N |
| Mol Weight | 442.43 g/mol |
| Molecular Formula | C20H22N6O6 |
| Exact Mass | 442.160082 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Apb4qJbetQX |
|---|---|
| Name | Adenosine, 4'-de(hydroxymethyl)-4'-[N-ethylaminoformyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 442.160082446 u |
| Formula | C20H22N6O6 |
| InChI | InChI=1S/C20H22N6O6/c1-2-21-18(29)15-13(27)14(28)19(32-15)26-9-25-12-16(23-8-24-17(12)26)22-7-10-3-5-11(6-4-10)20(30)31/h3-6,8-9,13-15,19,27-28H,2,7H2,1H3,(H,21,29)(H,30,31)(H,22,23,24)/t13-,14+,15-,19+/m0/s1 |
| InChIKey | ZCCXHLSGJMIKCD-QCUYGVNKSA-N |
| Molecular Weight | 442.432 g/mol |
| SMILES | C1=NC(=C2C(=N1)N([C@@]1(O[C@@]([C@@](O)([C@]1(O)[H])[H])(C(=O)NCC)[H])[H])C=N2)NCC1=CC=C(C=C1)C(O)=O |