| SpectraBase Compound ID | BQiEzlNaYwF |
|---|---|
| InChI | InChI=1S/C29H28N7O5P/c37-23-16-25(36-19-32-26-27(30-18-31-28(26)36)33-29(38)20-10-4-1-5-11-20)41-24(23)17-40-42(39,34-21-12-6-2-7-13-21)35-22-14-8-3-9-15-22/h1-15,18-19,23-25,37H,16-17H2,(H2,34,35,39)(H,30,31,33,38)/t23-,24+,25+/m0/s1 |
| InChIKey | PQTBMSZNOPRUBO-ISJGIBHGSA-N |
| Mol Weight | 585.56 g/mol |
| Molecular Formula | C29H28N7O5P |
| Exact Mass | 585.188954 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4ctE8T2VmPu |
|---|---|
| Name | N-Benzoyldeoxyadenosine-5'-dianilidophosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 585.188954023 u |
| Formula | C29H28N7O5P |
| InChI | InChI=1S/C29H28N7O5P/c37-23-16-25(36-19-32-26-27(30-18-31-28(26)36)33-29(38)20-10-4-1-5-11-20)41-24(23)17-40-42(39,34-21-12-6-2-7-13-21)35-22-14-8-3-9-15-22/h1-15,18-19,23-25,37H,16-17H2,(H2,34,35,39)(H,30,31,33,38)/t23-,24+,25+/m0/s1 |
| InChIKey | PQTBMSZNOPRUBO-ISJGIBHGSA-N |
| Molecular Weight | 585.561 g/mol |
| SMILES | N(P(OC[C@]1(O[C@](C[C@@]1(O)[H])(N1C=Nc2c1ncnc2NC(c1ccccc1)=O)[H])[H])(=O)Nc1ccccc1)c1ccccc1 |