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5,11,17,23-TETRAKIS-(1,1-DIMETHYLETHYL)-25,26-BIS-[(2-PYRIDYLMETHYL)-OXY]-27,28-CROWN-4-CALIX-[4]-ARENE,1,2-ALTERNATE-CONFORMER

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5,11,17,23-TETRAKIS-(1,1-DIMETHYLETHYL)-25,26-BIS-[(2-PYRIDYLMETHYL)-OXY]-27,28-CROWN-4-CALIX-[4]-ARENE,1,2-ALTERNATE-CONFORMER
SpectraBase Compound ID KafIs0x7VHV
InChI InChI=1S/C62H76N2O6/c1-59(2,3)49-31-41-27-42-32-50(60(4,5)6)34-44-29-46-36-52(62(10,11)12)38-48(58(46)70-40-54-18-14-16-20-64-54)30-47-37-51(61(7,8)9)35-45(57(47)69-39-53-17-13-15-19-63-53)28-43(33-49)55(41)67-25-23-65-21-22-66-24-26-68-56(42)44/h13-20,31-38H,21-30,39-40H2,1-12H3
InChIKey VYKZZVQPWAPBDZ-UHFFFAOYSA-N
Mol Weight 945.3 g/mol
Molecular Formula C62H76N2O6
Exact Mass 944.570338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4pmB9eLMNNg
Name 5,11,17,23-TETRAKIS-(1,1-DIMETHYLETHYL)-25,26-BIS-[(2-PYRIDYLMETHYL)-OXY]-27,28-CROWN-4-CALIX-[4]-ARENE,1,2-CONE-CONFORMER
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C62H76N2O6
InChI InChI=1S/C62H76N2O6/c1-59(2,3)49-31-41-27-42-32-50(60(4,5)6)34-44-29-46-36-52(62(10,11)12)38-48(58(46)70-40-54-18-14-16-20-64-54)30-47-37-51(61(7,8)9)35-45(57(47)69-39-53-17-13-15-19-63-53)28-43(33-49)55(41)67-25-23-65-21-22-66-24-26-68-56(42)44/h13-20,31-38H,21-30,39-40H2,1-12H3
InChIKey VYKZZVQPWAPBDZ-UHFFFAOYSA-N
Literature Reference Author G.FERGUSON,A.J.LOUGH,A.NOTTI,S.PAPPALARDO,M.F.PARISI,A.PETRI NGA
Literature Reference Citation J.ORG.CHEM.,63,9703(1998)
Literature Reference DOI 10.1021/jo9810516
Molecular Weight 945.295 g/mol
Solvent CDCl3
Source File Reference UWSI26742