![Adenosine, N(6)-benzyl-4'-[N-methylcarbamoyl]-4'-dehydroxymethyl-](/api/spectrum/Dy75qf0Fqrn/structure.png?h=300&w=458 "Adenosine, N(6)-benzyl-4'-[N-methylcarbamoyl]-4'-dehydroxymethyl-")
| SpectraBase Compound ID | 7A3EUNDT7VU |
|---|---|
| InChI | InChI=1S/C18H20N6O4/c1-19-17(27)14-12(25)13(26)18(28-14)24-9-23-11-15(21-8-22-16(11)24)20-7-10-5-3-2-4-6-10/h2-6,8-9,12-14,18,25-26H,7H2,1H3,(H,19,27)(H,20,21,22)/t12-,13+,14-,18+/m0/s1 |
| InChIKey | XZQKRHODUKHITR-MOROJQBDSA-N |
| Mol Weight | 384.4 g/mol |
| Molecular Formula | C18H20N6O4 |
| Exact Mass | 384.154603 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dy75qf0Fqrn |
|---|---|
| Name | Adenosine, N(6)-benzyl-4'-[N-methylcarbamoyl]-4'-dehydroxymethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.154603144 u |
| Formula | C18H20N6O4 |
| InChI | InChI=1S/C18H20N6O4/c1-19-17(27)14-12(25)13(26)18(28-14)24-9-23-11-15(21-8-22-16(11)24)20-7-10-5-3-2-4-6-10/h2-6,8-9,12-14,18,25-26H,7H2,1H3,(H,19,27)(H,20,21,22)/t12-,13+,14-,18+/m0/s1 |
| InChIKey | XZQKRHODUKHITR-MOROJQBDSA-N |
| Molecular Weight | 384.396 g/mol |
| SMILES | C1=NC2=C(N1[C@@]1(O[C@@]([C@@](O)([C@]1(O)[H])[H])(C(NC)=O)[H])[H])N=CN=C2NCC1=CC=CC=C1 |