![Adenosine, N(6)-[1-phenethyl]-4'-[N-ethylcarbamoyl]-4'-dehydroxymethyl-](/api/spectrum/B9owx0loHMK/structure.png?h=300&w=458 "Adenosine, N(6)-[1-phenethyl]-4'-[N-ethylcarbamoyl]-4'-dehydroxymethyl-")
| SpectraBase Compound ID | 34Q2CwKZChe |
|---|---|
| InChI | InChI=1S/C20H24N6O4/c1-3-21-19(29)16-14(27)15(28)20(30-16)26-10-24-13-17(22-9-23-18(13)26)25-11(2)12-7-5-4-6-8-12/h4-11,14-16,20,27-28H,3H2,1-2H3,(H,21,29)(H,22,23,25)/t11?,14-,15+,16-,20+/m0/s1 |
| InChIKey | XPUFNTFEUQZNQM-TWPVINNASA-N |
| Mol Weight | 412.45 g/mol |
| Molecular Formula | C20H24N6O4 |
| Exact Mass | 412.185903 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B9owx0loHMK |
|---|---|
| Name | Adenosine, N(6)-[1-phenethyl]-4'-[N-ethylcarbamoyl]-4'-dehydroxymethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.185903273 u |
| Formula | C20H24N6O4 |
| InChI | InChI=1S/C20H24N6O4/c1-3-21-19(29)16-14(27)15(28)20(30-16)26-10-24-13-17(22-9-23-18(13)26)25-11(2)12-7-5-4-6-8-12/h4-11,14-16,20,27-28H,3H2,1-2H3,(H,21,29)(H,22,23,25)/t11?,14-,15+,16-,20+/m0/s1 |
| InChIKey | XPUFNTFEUQZNQM-TWPVINNASA-N |
| Molecular Weight | 412.450 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=C2NC(C1=CC=CC=C1)C |