| SpectraBase Compound ID | HhFUIFtPzgg |
|---|---|
| InChI | InChI=1S/C20H24N6O5/c1-3-21-19(29)16-14(27)15(28)20(31-16)26-10-25-13-17(23-9-24-18(13)26)22-8-11-4-6-12(30-2)7-5-11/h4-7,9-10,14-16,20,27-28H,3,8H2,1-2H3,(H,21,29)(H,22,23,24)/t14-,15+,16-,20+/m0/s1 |
| InChIKey | BNXGNSTUSRFBCI-KSVNGYGVSA-N |
| Mol Weight | 428.45 g/mol |
| Molecular Formula | C20H24N6O5 |
| Exact Mass | 428.180818 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A7LYGZ0IZy3 |
|---|---|
| Name | Adenosine, N(6)-4-methoxybenzyl-4'-N-ethylcarbamoyl-4'-dehydroxymethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 428.180817892 u |
| Formula | C20H24N6O5 |
| InChI | InChI=1S/C20H24N6O5/c1-3-21-19(29)16-14(27)15(28)20(31-16)26-10-25-13-17(23-9-24-18(13)26)22-8-11-4-6-12(30-2)7-5-11/h4-7,9-10,14-16,20,27-28H,3,8H2,1-2H3,(H,21,29)(H,22,23,24)/t14-,15+,16-,20+/m0/s1 |
| InChIKey | BNXGNSTUSRFBCI-KSVNGYGVSA-N |
| Molecular Weight | 428.449 g/mol |
| SMILES | C1=NC2=C(N1[C@@]1(O[C@@]([C@@](O)([C@]1(O)[H])[H])(C(NCC)=O)[H])[H])N=CN=C2NCC1=CC=C(OC)C=C1 |