| SpectraBase Compound ID | BWjcFfK3dZL |
|---|---|
| InChI | InChI=1S/C34H34N3O11P/c1-23(38)46-31-30(48-49(41,42)45-21-9-19-35)28(47-32(31)37-20-18-29(39)36-33(37)40)22-44-34(24-10-5-3-6-11-24,25-12-7-4-8-13-25)26-14-16-27(43-2)17-15-26/h3-8,10-18,20,28,30-32H,9,21-22H2,1-2H3,(H,41,42)(H,36,39,40)/t28-,30-,31-,32-/m1/s1 |
| InChIKey | OMOYNWFJZVOWDN-PYTKSMOKSA-N |
| Mol Weight | 691.6 g/mol |
| Molecular Formula | C34H34N3O11P |
| Exact Mass | 691.193096 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9xVjuSZ9sXs |
|---|---|
| Name | 2'-o-Acetyl-5'-o-methoxytrityluridine-3'-cyanoethylphosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 691.193095914 u |
| Formula | C34H34N3O11P |
| InChI | InChI=1S/C34H34N3O11P/c1-23(38)46-31-30(48-49(41,42)45-21-9-19-35)28(47-32(31)37-20-18-29(39)36-33(37)40)22-44-34(24-10-5-3-6-11-24,25-12-7-4-8-13-25)26-14-16-27(43-2)17-15-26/h3-8,10-18,20,28,30-32H,9,21-22H2,1-2H3,(H,41,42)(H,36,39,40)/t28-,30-,31-,32-/m1/s1 |
| InChIKey | OMOYNWFJZVOWDN-PYTKSMOKSA-N |
| Molecular Weight | 691.630 g/mol |
| SMILES | N1C(C=CN([C@]2([C@@]([C@](OP(=O)(OCCC#N)O)([C@](O2)(COC(c2ccc(cc2)OC)(c2ccccc2)c2ccccc2)[H])[H])(OC(C)=O)[H])[H])C1=O)=O |