![4-[2,6-BIS-[4-ADAMANTANE-1-YL)-PHENYL]-4-[4-(TERT.-BUTYL)-PHENYL]-1-PYRIDINO]-2,6-BIS-[4-(TERT.-BUTYL)-PHENYL]-PHENOLATE](/api/spectrum/IJbG9yQCkIv/structure.png?h=300&w=458 "4-[2,6-BIS-[4-ADAMANTANE-1-YL)-PHENYL]-4-[4-(TERT.-BUTYL)-PHENYL]-1-PYRIDINO]-2,6-BIS-[4-(TERT.-BUTYL)-PHENYL]-PHENOLATE")
| SpectraBase Compound ID | 8YaETU8MIiY |
|---|---|
| InChI | InChI=1S/C73H81NO/c1-69(2,3)58-20-10-52(11-21-58)57-36-66(55-16-26-61(27-17-55)72-40-46-30-47(41-72)32-48(31-46)42-72)74(67(37-57)56-18-28-62(29-19-56)73-43-49-33-50(44-73)35-51(34-49)45-73)63-38-64(53-12-22-59(23-13-53)70(4,5)6)68(75)65(39-63)54-14-24-60(25-15-54)71(7,8)9/h10-29,36-39,46-51H,30-35,40-45H2,1-9H3/t46-,47+,48-,49-,50+,51-,72-,73- |
| InChIKey | MVQFLKLZUYJQJW-ZNNNVJQGSA-N |
| Mol Weight | 988.5 g/mol |
| Molecular Formula | C73H81NO |
| Exact Mass | 987.631816 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IJbG9yQCkIv |
|---|---|
| Name | 4-[2,6-BIS-[4-ADAMANTANE-1-YL)-PHENYL]-4-[4-(TERT.-BUTYL)-PHENYL]-1-PYRIDINO]-2,6-BIS-[4-(TERT.-BUTYL)-PHENYL]-PHENOLATE |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C73H81NO |
| InChI | InChI=1S/C73H81NO/c1-69(2,3)58-20-10-52(11-21-58)57-36-66(55-16-26-61(27-17-55)72-40-46-30-47(41-72)32-48(31-46)42-72)74(67(37-57)56-18-28-62(29-19-56)73-43-49-33-50(44-73)35-51(34-49)45-73)63-38-64(53-12-22-59(23-13-53)70(4,5)6)68(75)65(39-63)54-14-24-60(25-15-54)71(7,8)9/h10-29,36-39,46-51H,30-35,40-45H2,1-9H3/t46-,47+,48-,49-,50+,51-,72-,73- |
| InChIKey | MVQFLKLZUYJQJW-ZNNNVJQGSA-N |
| Literature Reference Author | C.REICHARDT,S.LOEBBECKE,A.M.MEHRANPOUR,G.SCHAEFER |
| Literature Reference Citation | CAN.J.CHEM.,76,686(1998) |
| Literature Reference DOI | 10.1139/cjc-76-6-686 |
| Molecular Weight | 988.452 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP1826 |