![2,4,6-TRIS-(3-AZATRICYCLO-[3.2.1.0]-OCT-3-YL)-3-CHLORO-5-CYANOPYRIDINE](/api/spectrum/BighXCcm1px/structure.png?h=300&w=458 "2,4,6-TRIS-(3-AZATRICYCLO-[3.2.1.0]-OCT-3-YL)-3-CHLORO-5-CYANOPYRIDINE")
| SpectraBase Compound ID | F9YoFWQbxNy |
|---|---|
| InChI | InChI=1S/C27H30ClN5/c28-18-25(31-19-11-1-2-12(7-11)20(19)31)17(10-29)26(32-21-13-3-4-14(8-13)22(21)32)30-27(18)33-23-15-5-6-16(9-15)24(23)33/h11-16,19-24H,1-9H2/t11-,12+,13-,14+,15-,16+,19-,20-,21+,22+,23-,24-,31?,32?,33?/m1/s1 |
| InChIKey | OJXXHJGTEPXABN-YBVLQSTASA-N |
| Mol Weight | 460.03 g/mol |
| Molecular Formula | C27H30ClN5 |
| Exact Mass | 459.218974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BighXCcm1px |
|---|---|
| Name | 2,4,6-TRIS-(3-AZATRICYCLO-[3.2.1.0]-OCT-3-YL)-3-CHLORO-5-CYANOPYRIDINE |
| Compound Number | IV-A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H30ClN5 |
| InChI | InChI=1S/C27H30ClN5/c28-18-25(31-19-11-1-2-12(7-11)20(19)31)17(10-29)26(32-21-13-3-4-14(8-13)22(21)32)30-27(18)33-23-15-5-6-16(9-15)24(23)33/h11-16,19-24H,1-9H2/t11-,12+,13-,14+,15-,16+,19-,20-,21+,22+,23-,24-,31?,32?,33?/m1/s1 |
| InChIKey | OJXXHJGTEPXABN-YBVLQSTASA-N |
| Literature Reference Author | S.V.CHAPYSHEV,V.M.ANISIMOV |
| Literature Reference Citation | CHEM.HET.COMP.,33,1315(1997) |
| Literature Reference DOI | 10.1007/bf02320334 |
| Molecular Weight | 460.022 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ14475 |