![9-[1'-Dimethoxytrityloxy-2'-(hydroxymethyl)ethoxy]methyl-2-N-isobutirylguanine, (N,N-diisopropylamido)methylphosphite](/api/spectrum/3VgrEJzKfVv/structure.png?h=300&w=458 "9-[1'-Dimethoxytrityloxy-2'-(hydroxymethyl)ethoxy]methyl-2-N-isobutirylguanine, (N,N-diisopropylamido)methylphosphite")
| SpectraBase Compound ID | Az9sNII9fSs |
|---|---|
| InChI | InChI=1S/C41H53N6O8P/c1-27(2)38(48)44-40-43-37-36(39(49)45-40)42-25-46(37)26-53-35(24-55-56(52-9)47(28(3)4)29(5)6)23-54-41(30-13-11-10-12-14-30,31-15-19-33(50-7)20-16-31)32-17-21-34(51-8)22-18-32/h10-22,25,27-29,35H,23-24,26H2,1-9H3,(H2,43,44,45,48,49)/t35-,56?/m0/s1 |
| InChIKey | VYOHDAVGTYHPFO-RLJQHYTKSA-N |
| Mol Weight | 788.9 g/mol |
| Molecular Formula | C41H53N6O8P |
| Exact Mass | 788.36625 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3VgrEJzKfVv |
|---|---|
| Name | 9-[1'-Dimethoxytrityloxy-2'-(hydroxymethyl)ethoxy]methyl-2-N-isobutirylguanine, (N,N-diisopropylamido)methylphosphite |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 788.366249681 u |
| Formula | C41H53N6O8P |
| InChI | InChI=1S/C41H53N6O8P/c1-27(2)38(48)44-40-43-37-36(39(49)45-40)42-25-46(37)26-53-35(24-55-56(52-9)47(28(3)4)29(5)6)23-54-41(30-13-11-10-12-14-30,31-15-19-33(50-7)20-16-31)32-17-21-34(51-8)22-18-32/h10-22,25,27-29,35H,23-24,26H2,1-9H3,(H2,43,44,45,48,49)/t35-,56?/m0/s1 |
| InChIKey | VYOHDAVGTYHPFO-RLJQHYTKSA-N |
| Molecular Weight | 788.883 g/mol |
| SMILES | N1C(C=2N=CN(C2N=C1NC(=O)C(C)C)CO[C@@](COC(c1ccc(cc1)OC)(c1ccccc1)c1ccc(cc1)OC)(COP(OC)N(C(C)C)C(C)C)[H])=O |