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2,4,6,8,9-PENTAKIS-(3,5-DIMETHYLPHENYL)-1,3-DIAZA-6-ADAMANTANONE

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2,4,6,8,9-PENTAKIS-(3,5-DIMETHYLPHENYL)-1,3-DIAZA-6-ADAMANTANONE
SpectraBase Compound ID 7MHhRWgssxk
InChI InChI=1S/C48H52N2O/c1-26-11-27(2)17-36(16-26)43-41-44(37-18-28(3)12-29(4)19-37)50-46(39-22-32(7)14-33(8)23-39)42(47(41)51)45(38-20-30(5)13-31(6)21-38)49(43)48(50)40-24-34(9)15-35(10)25-40/h11-25,41-46,48H,1-10H3/t41-,42+,43-,44-,45+,46-,48+/m1/s1
InChIKey SDTFYZJIBJFRTL-OOSLSJLTSA-N
Mol Weight 673.0 g/mol
Molecular Formula C48H52N2O
Exact Mass 672.407964 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jh3qBuRWA3l
Name 2,4,6,8,9-PENTAKIS-(3,5-DIMETHYLPHENYL)-1,3-DIAZA-6-ADAMANTANONE
Compound Number 14B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H52N2O
InChI InChI=1S/C48H52N2O/c1-26-11-27(2)17-36(16-26)43-41-44(37-18-28(3)12-29(4)19-37)50-46(39-22-32(7)14-33(8)23-39)42(47(41)51)45(38-20-30(5)13-31(6)21-38)49(43)48(50)40-24-34(9)15-35(10)25-40/h11-25,41-46,48H,1-10H3/t41-,42+,43-,44-,45+,46-,48+/m1/s1
InChIKey SDTFYZJIBJFRTL-OOSLSJLTSA-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 672.954 g/mol
Solvent CDCl3
Source File Reference UWCS5871