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REL-(2R,4R,6S,11S)-2,4,6,11-TETRAKIS-(3,5-DIMETHYLPHENYL)-9-OXA-1,5-DIAZATRICYCLO-[5.3.1.0(3,8)]-UNDECANE
SpectraBase Compound ID f9WO2f9wQk
InChI InChI=1S/C40H46N2O/c1-22-9-23(2)14-30(13-22)36-34-38(32-17-26(5)11-27(6)18-32)42-21-43-40(34)35(39(42)33-19-28(7)12-29(8)20-33)37(41-36)31-15-24(3)10-25(4)16-31/h9-20,34-41H,21H2,1-8H3/t34-,35-,36-,37+,38+,39+,40?/m1/s1
InChIKey MQPAQWRLADAOBK-BHYBBSJYSA-N
Mol Weight 570.8 g/mol
Molecular Formula C40H46N2O
Exact Mass 570.361014 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9zzH0ePFi8L
Name REL-(2R,4R,6S,11S)-2,4,6,11-TETRAKIS-(3,5-DIMETHYLPHENYL)-9-OXA-1,5-DIAZATRICYCLO-[5.3.1.0(3,8)]-UNDECANE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H46N2O
InChI InChI=1S/C40H46N2O/c1-22-9-23(2)14-30(13-22)36-34-38(32-17-26(5)11-27(6)18-32)42-21-43-40(34)35(39(42)33-19-28(7)12-29(8)20-33)37(41-36)31-15-24(3)10-25(4)16-31/h9-20,34-41H,21H2,1-8H3/t34-,35-,36-,37+,38+,39+,40?/m1/s1
InChIKey MQPAQWRLADAOBK-BHYBBSJYSA-N
Literature Reference Author L.M.JACKMAN,T.S.DUNNE,B.MUELLER,H.QUAST
Literature Reference Citation CHEM.BER.,115,2872(1982)
Literature Reference DOI 10.1002/cber.19821150818
Molecular Weight 570.818 g/mol
Solvent CDCl3
Source File Reference UWCS5873