![N-[5-[(4,4'-DIMETHOXYTRITYL)-OXY]-PENTYL]-N'-(5-HYDROXYPENTYL)-PHENANTHRENE-3,6-CARBOXAMIDE](/api/spectrum/2gxzsRq1y5T/structure.png?h=300&w=458 "N-[5-[(4,4'-DIMETHOXYTRITYL)-OXY]-PENTYL]-N'-(5-HYDROXYPENTYL)-PHENANTHRENE-3,6-CARBOXAMIDE")
| SpectraBase Compound ID | C0eXiSZUy60 |
|---|---|
| InChI | InChI=1S/2C47H50N2O6/c2*1-53-41-24-20-39(21-25-41)47(38-12-6-3-7-13-38,40-22-26-42(54-2)27-23-40)55-31-11-5-9-29-49-46(52)37-19-17-35-15-14-34-16-18-36(32-43(34)44(35)33-37)45(51)48-28-8-4-10-30-50/h2*3,6-7,12-27,32-33,50H,4-5,8-11,28-31H2,1-2H3,(H,48,51)(H,49,52) |
| InChIKey | YUJZXNNDKALOEG-UHFFFAOYSA-N |
| Mol Weight | 1477.8 g/mol |
| Molecular Formula | C94H100N4O12 |
| Exact Mass | 1476.733775 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2gxzsRq1y5T |
|---|---|
| Name | N-[5-[(4,4'-DIMETHOXYTRITYL)-OXY]-PENTYL]-N'-(5-HYDROXYPENTYL)-PHENANTHRENE-3,6-CARBOXAMIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C94H100N4O12 |
| InChI | InChI=1S/2C47H50N2O6/c2*1-53-41-24-20-39(21-25-41)47(38-12-6-3-7-13-38,40-22-26-42(54-2)27-23-40)55-31-11-5-9-29-49-46(52)37-19-17-35-15-14-34-16-18-36(32-43(34)44(35)33-37)45(51)48-28-8-4-10-30-50/h2*3,6-7,12-27,32-33,50H,4-5,8-11,28-31H2,1-2H3,(H,48,51)(H,49,52) |
| InChIKey | YUJZXNNDKALOEG-UHFFFAOYSA-N |
| Literature Reference Author | S.M.LANGENEGGER,R.HAENER |
| Literature Reference Citation | CHEM.BIODIV.,1,259(2004) |
| Molecular Weight | 1477.848 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU21607 |