![p(1)-[2-(4-Nitrophenyl)-ethyl]-p(2)-(2'-deoxy-3'-o-acetyl-N(4)-benzoylcytidin-5'-yl)-methylenebis-(phosphonate)](/api/spectrum/ByjVmVgA5w6/structure.png?h=300&w=458 "p(1)-[2-(4-Nitrophenyl)-ethyl]-p(2)-(2'-deoxy-3'-o-acetyl-N(4)-benzoylcytidin-5'-yl)-methylenebis-(phosphonate)")
| SpectraBase Compound ID | 1TIBZx03veW |
|---|---|
| InChI | InChI=1S/C27H30N4O13P2/c1-18(32)43-22-15-25(30-13-11-24(29-27(30)34)28-26(33)20-5-3-2-4-6-20)44-23(22)16-42-46(39,40)17-45(37,38)41-14-12-19-7-9-21(10-8-19)31(35)36/h2-11,13,22-23,25H,12,14-17H2,1H3,(H,37,38)(H,39,40)(H,28,29,33,34)/t22-,23+,25+/m0/s1 |
| InChIKey | YWAILUYNWXKVJM-JBRSBNLGSA-N |
| Mol Weight | 680.5 g/mol |
| Molecular Formula | C27H30N4O13P2 |
| Exact Mass | 680.128461 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 | ByjVmVgA5w6 |
|---|---|
| Name | p(1)-[2-(4-Nitrophenyl)-ethyl]-p(2)-(2'-deoxy-3'-o-acetyl-N(4)-benzoylcytidin-5'-yl)-methylenebis-(phosphonate) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 680.128461025 u |
| Formula | C27H30N4O13P2 |
| InChI | InChI=1S/C27H30N4O13P2/c1-18(32)43-22-15-25(30-13-11-24(29-27(30)34)28-26(33)20-5-3-2-4-6-20)44-23(22)16-42-46(39,40)17-45(37,38)41-14-12-19-7-9-21(10-8-19)31(35)36/h2-11,13,22-23,25H,12,14-17H2,1H3,(H,37,38)(H,39,40)(H,28,29,33,34)/t22-,23+,25+/m0/s1 |
| InChIKey | YWAILUYNWXKVJM-JBRSBNLGSA-N |
| Molecular Weight | 680.500 g/mol |
| Nominal Mass | 680 u |
| SMILES | C1(N(C=CC(=N1)NC(=O)C1=CC=CC=C1)[C@]1(C[C@@]([C@](O1)(COP(=O)(O)CP(=O)(O)OCCC1=CC=C(N(=O)=O)C=C1)[H])(OC(=O)C)[H])[H])=O |