| SpectraBase Compound ID | JIAYKbMAG99 |
|---|---|
| InChI | InChI=1S/C23H25N4O8P/c1-33-17-9-7-15(8-10-17)22(29)24-20-11-12-27(23(30)25-20)21-13-18(28)19(35-21)14-34-36(31,32)26-16-5-3-2-4-6-16/h2-12,18-19,21,28H,13-14H2,1H3,(H2,26,31,32)(H,24,25,29,30)/t18-,19+,21+/m0/s1 |
| InChIKey | QNWAAGNNHGBRLU-QKNQBKEWSA-N |
| Mol Weight | 516.45 g/mol |
| Molecular Formula | C23H25N4O8P |
| Exact Mass | 516.141001 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4cf4B3na5om |
|---|---|
| Name | N-Anisoyldeoxycytidine-5'-anilidophosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 516.141000771 u |
| Formula | C23H25N4O8P |
| InChI | InChI=1S/C23H25N4O8P/c1-33-17-9-7-15(8-10-17)22(29)24-20-11-12-27(23(30)25-20)21-13-18(28)19(35-21)14-34-36(31,32)26-16-5-3-2-4-6-16/h2-12,18-19,21,28H,13-14H2,1H3,(H2,26,31,32)(H,24,25,29,30)/t18-,19+,21+/m0/s1 |
| InChIKey | QNWAAGNNHGBRLU-QKNQBKEWSA-N |
| Molecular Weight | 516.447 g/mol |
| SMILES | OP(OC[C@]1(O[C@](C[C@@]1(O)[H])(N1C=CC(=NC1=O)NC(c1ccc(cc1)OC)=O)[H])[H])(=O)Nc1ccccc1 |