| SpectraBase Compound ID | 7BEBFhElAzE |
|---|---|
| InChI | InChI=1S/C28H25N2O8P/c31-23-16-17-30(27(32)29-23)26-25-24(37-39(33,34)38-25)22(36-26)18-35-28(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-17,22,24-26H,18H2,(H,33,34)(H,29,31,32)/t22-,24-,25-,26-/m1/s1 |
| InChIKey | YAWWIXIUYIIROP-VNSJUHMKSA-N |
| Mol Weight | 548.49 g/mol |
| Molecular Formula | C28H25N2O8P |
| Exact Mass | 548.134853 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | TZT0moccId |
|---|---|
| Name | 5'-o-Trityluridine-2',3'-cyclophosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 548.134852763 u |
| Formula | C28H25N2O8P |
| InChI | InChI=1S/C28H25N2O8P/c31-23-16-17-30(27(32)29-23)26-25-24(37-39(33,34)38-25)22(36-26)18-35-28(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-17,22,24-26H,18H2,(H,33,34)(H,29,31,32)/t22-,24-,25-,26-/m1/s1 |
| InChIKey | YAWWIXIUYIIROP-VNSJUHMKSA-N |
| Molecular Weight | 548.488 g/mol |
| SMILES | N1C(C=CN([C@@]2(O[C@@]([C@@]3([C@]2(OP(O3)(=O)O)[H])[H])(COC(c2ccccc2)(c2ccccc2)c2ccccc2)[H])[H])C1=O)=O |