| SpectraBase Compound ID | KDKDmD9NX5M |
|---|---|
| InChI | InChI=1S/C55H50N3O9.C5H.Fe/c1-36-20-24-40(25-21-36)53(62)65-35-47-46(67-54(63)41-26-22-37(2)23-27-41)33-48(66-47)58-34-42(50(59)56-55(58)64)29-28-39-30-31-45-49-43(39)18-14-19-44(49)51(60)57(52(45)61)32-13-9-7-5-3-4-6-8-10-15-38-16-11-12-17-38;1-2-4-5-3-1;/h14,18-27,30-31,34,46-48H,3-10,13,15,32-33,35H2,1-2H3,(H,56,59,64);1H;/t46-,47+,48+;;/m0../s1 |
| InChIKey | GHOXXKARCLGXHC-WMWALDCLSA-N |
| Mol Weight | 1013.9 g/mol |
| Molecular Formula | C60H51FeN3O9 |
| Exact Mass | 1013.297466 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | lb5Jt6nSk8 |
|---|---|
| Name | 5-(4-ETHYNYL-N-FEROCENYLUNDECYLNAPHTHALIMIDO)-3',5'-DI-O-PARA-TOLUOYL-2'-DEOXYURIDINE |
| CAS Registry Number | 850513-46-1 |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H51FeN3O9 |
| InChI | InChI=1S/C55H50N3O9.C5H.Fe/c1-36-20-24-40(25-21-36)53(62)65-35-47-46(67-54(63)41-26-22-37(2)23-27-41)33-48(66-47)58-34-42(50(59)56-55(58)64)29-28-39-30-31-45-49-43(39)18-14-19-44(49)51(60)57(52(45)61)32-13-9-7-5-3-4-6-8-10-15-38-16-11-12-17-38;1-2-4-5-3-1;/h14,18-27,30-31,34,46-48H,3-10,13,15,32-33,35H2,1-2H3,(H,56,59,64);1H;/t46-,47+,48+;;/m0../s1 |
| InChIKey | GHOXXKARCLGXHC-WMWALDCLSA-N |
| Literature Reference Author | G.CAVIGIOLIO,J.L.MORGAN,B.H.ROBINSON,J.SIMPSON |
| Literature Reference Citation | AUSTR.J.CHEM.,57,885(2004) |
| Literature Reference DOI | 10.1071/CH04020 |
| Molecular Weight | 1013.927 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN7699 |