| SpectraBase Compound ID | 33QoTctXNIa |
|---|---|
| InChI | InChI=1S/2C41H51N6O8P/c2*1-25(2)47(26(3)4)56(51-9)52-23-32-34-35(55-40(5,6)54-34)38(53-32)46-37-33(44-39(46)48)36(42-24-43-37)45-41(27-13-11-10-12-14-27,28-15-19-30(49-7)20-16-28)29-17-21-31(50-8)22-18-29/h2*10-22,24-26,32,34-35,38H,23H2,1-9H3,(H,44,48)(H,42,43,45)/t2*32-,34-,35-,38-,56?/m00/s1 |
| InChIKey | HSCZDDHZQSOEMC-FZVWIWCXSA-N |
| Mol Weight | 1573.7 g/mol |
| Molecular Formula | C82H102N12O16P2 |
| Exact Mass | 1572.701199 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1zqWzgUUWsm |
|---|---|
| Name | 6-N-(4,4'-Dimethoxytrityl)-2',3'-o-isopropylidene-8-oxoadenosine-5'-(methyl-N,N-diisopropylphosphoramidite) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 1572.701199232 u |
| Formula | C82H102N12O16P2 |
| InChI | InChI=1S/2C41H51N6O8P/c2*1-25(2)47(26(3)4)56(51-9)52-23-32-34-35(55-40(5,6)54-34)38(53-32)46-37-33(44-39(46)48)36(42-24-43-37)45-41(27-13-11-10-12-14-27,28-15-19-30(49-7)20-16-28)29-17-21-31(50-8)22-18-29/h2*10-22,24-26,32,34-35,38H,23H2,1-9H3,(H,44,48)(H,42,43,45)/t2*32-,34-,35-,38-,56?/m00/s1 |
| InChIKey | HSCZDDHZQSOEMC-FZVWIWCXSA-N |
| Molecular Weight | 1573.734 g/mol |
| SMILES | C1=NC2=C(C(=N1)NC(C1=CC=CC=C1)(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC)NC(N2[C@@]1([C@@]2([C@]([C@@](O1)(COP(OC)N(C(C)C)C(C)C)[H])(OC(O2)(C)C)[H])[H])[H])=O.C1=NC2=C(C(=N1)NC(C1=CC=CC=C1)(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC)NC(N2[C@@]1([C@@]2([C@]([C@@](O1)(COP(OC)N(C(C)C)C(C)C)[H])(OC(O2)(C)C)[H])[H])[H])=O |