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4,8,9,10-TETRAKIS-(3,5-DIMETHYLPHENYL)-1,3-DIAZAADAMANTANE
SpectraBase Compound ID MCbuXUlDex
InChI InChI=1S/C40H46N2/c1-23-9-24(2)14-31(13-23)37-35-21-36-39(33-17-27(5)11-28(6)18-33)41(37)22-42(38(35)32-15-25(3)10-26(4)16-32)40(36)34-19-29(7)12-30(8)20-34/h9-20,35-40H,21-22H2,1-8H3/t35-,36+,37-,38-,39+,40-/m1/s1
InChIKey GLQHURGEQHQYLX-SHEABQIWSA-N
Mol Weight 554.8 g/mol
Molecular Formula C40H46N2
Exact Mass 554.366099 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EqYduPIWnAa
Name 4,8,9,10-TETRAKIS-(3,5-DIMETHYLPHENYL)-1,3-DIAZAADAMANTANE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H46N2
InChI InChI=1S/C40H46N2/c1-23-9-24(2)14-31(13-23)37-35-21-36-39(33-17-27(5)11-28(6)18-33)41(37)22-42(38(35)32-15-25(3)10-26(4)16-32)40(36)34-19-29(7)12-30(8)20-34/h9-20,35-40H,21-22H2,1-8H3/t35-,36+,37-,38-,39+,40-/m1/s1
InChIKey GLQHURGEQHQYLX-SHEABQIWSA-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 554.819 g/mol
Solvent CDCl3
Source File Reference UWCS5855