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4-[4-(TERT.-BUTYL)-PHENYL]-2,6-BIS-[3,5-DI-(TERT.-BUTYL)-PHENYL]-1-[4-HYDROXY-3,5-BIS-[4-(TERT.-BUTYL)-PHENYL]-PHENYL]-PYRIDINIUM-PERCHLORATE

View entire compound with spectra: 1 NMR

4-[4-(TERT.-BUTYL)-PHENYL]-2,6-BIS-[3,5-DI-(TERT.-BUTYL)-PHENYL]-1-[4-HYDROXY-3,5-BIS-[4-(TERT.-BUTYL)-PHENYL]-PHENYL]-PYRIDINIUM-PERCHLORATE
SpectraBase Compound ID 4oHdbUf5UsW
InChI InChI=1S/C69H85NO.ClHO4/c1-63(2,3)50-28-22-44(23-29-50)47-38-60(48-34-53(66(10,11)12)40-54(35-48)67(13,14)15)70(61(39-47)49-36-55(68(16,17)18)41-56(37-49)69(19,20)21)57-42-58(45-24-30-51(31-25-45)64(4,5)6)62(71)59(43-57)46-26-32-52(33-27-46)65(7,8)9;2-1(3,4)5/h22-43H,1-21H3;(H,2,3,4,5)
InChIKey MRRWOCMDTPKCES-UHFFFAOYSA-N
Mol Weight 1044.9 g/mol
Molecular Formula C69H86ClNO5
Exact Mass 1043.619453 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KJA8IgrQ9Ev
Name 4-[4-(TERT.-BUTYL)-PHENYL]-2,6-BIS-[3,5-DI-(TERT.-BUTYL)-PHENYL]-1-[4-HYDROXY-3,5-BIS-[4-(TERT.-BUTYL)-PHENYL]-PHENYL]-PYRIDINIUM-PERCHLORATE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C69H86ClNO5
InChI InChI=1S/C69H85NO.ClHO4/c1-63(2,3)50-28-22-44(23-29-50)47-38-60(48-34-53(66(10,11)12)40-54(35-48)67(13,14)15)70(61(39-47)49-36-55(68(16,17)18)41-56(37-49)69(19,20)21)57-42-58(45-24-30-51(31-25-45)64(4,5)6)62(71)59(43-57)46-26-32-52(33-27-46)65(7,8)9;2-1(3,4)5/h22-43H,1-21H3;(H,2,3,4,5)
InChIKey MRRWOCMDTPKCES-UHFFFAOYSA-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 1044.899 g/mol
Solvent CDCl3
Source File Reference UWCP1822