![3,11,19,27,33,34,35,36-OCTAAZA-PENTACYCLO-[27.3.1.1(5,9).1(13,17).1(21,25)]-HEXATRIACONTA-1(33),5(34),6,8,13(35),14,16,21(36),22,24,29,31-DODECAENE](/api/spectrum/3Z9CuEor1aA/structure.png?h=300&w=458 "3,11,19,27,33,34,35,36-OCTAAZA-PENTACYCLO-[27.3.1.1(5,9).1(13,17).1(21,25)]-HEXATRIACONTA-1(33),5(34),6,8,13(35),14,16,21(36),22,24,29,31-DODECAENE")
| SpectraBase Compound ID | 4ynAQ8xP8sx |
|---|---|
| InChI | InChI=1S/C28H32N8/c1-5-21-13-29-15-23-7-2-9-25(34-23)17-31-19-27-11-4-12-28(36-27)20-32-18-26-10-3-8-24(35-26)16-30-14-22(6-1)33-21/h1-12,29-32H,13-20H2 |
| InChIKey | OSJFNISHJSWILL-UHFFFAOYSA-N |
| Mol Weight | 480.6 g/mol |
| Molecular Formula | C28H32N8 |
| Exact Mass | 480.274993 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Z9CuEor1aA |
|---|---|
| Name | 3,11,19,27,33,34,35,36-OCTAAZA-PENTACYCLO-[27.3.1.1(5,9).1(13,17).1(21,25)]-HEXATRIACONTA-1(33),5(34),6,8,13(35),14,16,21(36),22,24,29,31-DODECAENE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H32N8 |
| InChI | InChI=1S/C28H32N8/c1-5-21-13-29-15-23-7-2-9-25(34-23)17-31-19-27-11-4-12-28(36-27)20-32-18-26-10-3-8-24(35-26)16-30-14-22(6-1)33-21/h1-12,29-32H,13-20H2 |
| InChIKey | OSJFNISHJSWILL-UHFFFAOYSA-N |
| Literature Reference Author | M.W.HOSSEINI,J.COMARMOND,J.M.LEHN |
| Literature Reference Citation | HELV.CHIM.ACTA,72,1066(1989) |
| Literature Reference DOI | 10.1002/hlca.19890720525 |
| Molecular Weight | 480.616 g/mol |
| Solvent | D2O |
| Source File Reference | UWCS12592 |