![1A;[4,5,7,8,29,30,32,33-OCTAHYDRO-10,14:23,27-DIMETHENOBENZO-[Z]-DINAPHTO-[2,1-H:1',2'-J]-[1,4,7,12,15,18,25,28]-HEXAOXADIAZACYCLOTETRATRIACONTINE-45,46-DIOLAT](/api/spectrum/EjEyoEBa9fS/structure.png?h=300&w=458 "1A;[4,5,7,8,29,30,32,33-OCTAHYDRO-10,14:23,27-DIMETHENOBENZO-[Z]-DINAPHTO-[2,1-H:1',2'-J]-[1,4,7,12,15,18,25,28]-HEXAOXADIAZACYCLOTETRATRIACONTINE-45,46-DIOLAT")
| SpectraBase Compound ID | BXZ8TDZIkIi |
|---|---|
| InChI | InChI=1S/C48H40N2O8.2O.U/c1-3-13-37-33(9-1)19-21-41-45(37)46-38-14-4-2-10-34(38)20-22-42(46)54-28-24-52-26-30-56-44-18-8-12-36-32-50(58-48(36)44)40-16-6-5-15-39(40)49-31-35-11-7-17-43(47(35)57-49)55-29-25-51-23-27-53-41;;;/h1-22,31-32H,23-30H2;;; |
| InChIKey | PKLLDBUGPQELNR-UHFFFAOYSA-N |
| Mol Weight | 1042.9 g/mol |
| Molecular Formula | C48H40N2O10U |
| Exact Mass | 1042.319085 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EjEyoEBa9fS |
|---|---|
| Name | 1A;[4,5,7,8,29,30,32,33-OCTAHYDRO-10,14:23,27-DIMETHENOBENZO-[Z]-DINAPHTO-[2,1-H:1',2'-J]-[1,4,7,12,15,18,25,28]-HEXAOXADIAZACYCLOTETRATRIACONTINE-45,46-DIOLAT |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H40N2O10U |
| InChI | InChI=1S/C48H40N2O8.2O.U/c1-3-13-37-33(9-1)19-21-41-45(37)46-38-14-4-2-10-34(38)20-22-42(46)54-28-24-52-26-30-56-44-18-8-12-36-32-50(58-48(36)44)40-16-6-5-15-39(40)49-31-35-11-7-17-43(47(35)57-49)55-29-25-51-23-27-53-41;;;/h1-22,31-32H,23-30H2;;; |
| InChIKey | PKLLDBUGPQELNR-UHFFFAOYSA-N |
| Literature Reference Author | A.M.REICHWEIN,W.VERBOOM,D.N.REINHOUDT |
| Literature Reference Citation | REC.TR.CH.P.-B.,112,358(1993) |
| Literature Reference DOI | 10.1002/recl.19931120609 |
| Molecular Weight | 1042.882 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWRK1062 |