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5,12,19-TRI-TERT.-BUTYL-[2.1.1]-(2,6)-PYRIDINOPHANE
SpectraBase Compound ID ENTDgOIckiE
InChI InChI=1S/C31H41N3/c1-29(2,3)20-12-23-10-11-24-13-21(30(4,5)6)15-26(33-24)19-28-17-22(31(7,8)9)16-27(34-28)18-25(14-20)32-23/h12-17H,10-11,18-19H2,1-9H3
InChIKey TYYFAHWMRNLMQT-UHFFFAOYSA-N
Mol Weight 455.7 g/mol
Molecular Formula C31H41N3
Exact Mass 455.330048 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KNfswv7jJZc
Name 5,12,19-TRI-TERT.-BUTYL-[2.1.1]-(2,6)-PYRIDINOPHANE
Compound Number (T)BU3-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H41N3
InChI InChI=1S/C31H41N3/c1-29(2,3)20-12-23-10-11-24-13-21(30(4,5)6)15-26(33-24)19-28-17-22(31(7,8)9)16-27(34-28)18-25(14-20)32-23/h12-17H,10-11,18-19H2,1-9H3
InChIKey TYYFAHWMRNLMQT-UHFFFAOYSA-N
Literature Reference Author A.N.VEDERNIKOV,M.PINK,K.G.CAULTON
Literature Reference Citation J.ORG.CHEM.,68,4806(2003)
Literature Reference DOI 10.1021/jo034268v
Molecular Weight 455.687 g/mol
Solvent CDCl3
Source File Reference UWLU23875