| SpectraBase Compound ID | CQbchFEBYXV |
|---|---|
| InChI | InChI=1S/C32H34ClN2O8P/c1-21-19-35(31(37)34-30(21)36)29-18-27(43-44(33)40-4)28(42-29)20-41-32(22-8-6-5-7-9-22,23-10-14-25(38-2)15-11-23)24-12-16-26(39-3)17-13-24/h5-17,19,27-29H,18,20H2,1-4H3,(H,34,36,37)/t27-,28+,29+,44?/m0/s1 |
| InChIKey | PURHUUJTPIVKPJ-VBALQNMNSA-N |
| Mol Weight | 641.1 g/mol |
| Molecular Formula | C32H34ClN2O8P |
| Exact Mass | 640.174131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BmqSvKfddci |
|---|---|
| Name | 5'-Dimethoxytrityldeoxythymidine-3'-o-methylchlorophosphite |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 640.174130753 u |
| Formula | C32H34ClN2O8P |
| InChI | InChI=1S/C32H34ClN2O8P/c1-21-19-35(31(37)34-30(21)36)29-18-27(43-44(33)40-4)28(42-29)20-41-32(22-8-6-5-7-9-22,23-10-14-25(38-2)15-11-23)24-12-16-26(39-3)17-13-24/h5-17,19,27-29H,18,20H2,1-4H3,(H,34,36,37)/t27-,28+,29+,44?/m0/s1 |
| InChIKey | PURHUUJTPIVKPJ-VBALQNMNSA-N |
| Molecular Weight | 641.057 g/mol |
| SMILES | N1C(C(=CN(C1=O)[C@]1(C[C@@]([C@](O1)(COC(c1ccc(cc1)OC)(c1ccc(cc1)OC)c1ccccc1)[H])(OP(Cl)OC)[H])[H])C)=O |