| SpectraBase Compound ID | 8RuuDNZVcxj |
|---|---|
| InChI | InChI=1S/C35H32ClN2O8P.C5H5N/c1-24-22-38(34(40)37-33(24)39)32-21-30(46-47(41,42)45-29-19-17-28(36)18-20-29)31(44-32)23-43-35(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27;1-2-4-6-5-3-1/h2-20,22,30-32H,21,23H2,1H3,(H,41,42)(H,37,39,40);1-5H/t30-,31+,32+;/m0./s1 |
| InChIKey | DBMQMZFYVHLIER-SNGUFSSQSA-N |
| Mol Weight | 754.2 g/mol |
| Molecular Formula | C40H37ClN3O8P |
| Exact Mass | 753.20068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8luFrIOjV4A |
|---|---|
| Name | 5'-o-Trityldeoxythymidine, 3'-(4-chlorophenyl)phosphate, pyridiniumsalt |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 753.200679853 u |
| Formula | C40H37ClN3O8P |
| InChI | InChI=1S/C35H32ClN2O8P.C5H5N/c1-24-22-38(34(40)37-33(24)39)32-21-30(46-47(41,42)45-29-19-17-28(36)18-20-29)31(44-32)23-43-35(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27;1-2-4-6-5-3-1/h2-20,22,30-32H,21,23H2,1H3,(H,41,42)(H,37,39,40);1-5H/t30-,31+,32+;/m0./s1 |
| InChIKey | DBMQMZFYVHLIER-SNGUFSSQSA-N |
| Molecular Weight | 754.176 g/mol |
| SMILES | c1[nH+]cccc1.N1C(C(=CN(C1=O)[C@]1(C[C@@]([C@](O1)(COC(c1ccccc1)(c1ccccc1)c1ccccc1)[H])(OP([O-])(=O)Oc1ccc(cc1)Cl)[H])[H])C)=O |