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2,4,6,8-TETRA-(3,5-DIMETHYLPHENYL)-3,7-DIAZABICYCLO-[3.3.1]-NONAN-9-ONE
SpectraBase Compound ID FjeZfROxbEx
InChI InChI=1S/C39H44N2O/c1-21-9-22(2)14-29(13-21)35-33-36(30-15-23(3)10-24(4)16-30)41-38(32-19-27(7)12-28(8)20-32)34(39(33)42)37(40-35)31-17-25(5)11-26(6)18-31/h9-20,33-38,40-41H,1-8H3/t33-,34-,35-,36-,37+,38-/m1/s1
InChIKey NOKGVUPKLKJVFY-XQEARHMCSA-N
Mol Weight 556.8 g/mol
Molecular Formula C39H44N2O
Exact Mass 556.345364 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 16dTKwruvEE
Name 2,4,6,8-TETRA-(3,5-DIMETHYLPHENYL)-3,7-DIAZABICYCLO-[3.3.1]-NONAN-9-ONE
Compound Number 2E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H44N2O
InChI InChI=1S/C39H44N2O/c1-21-9-22(2)14-29(13-21)35-33-36(30-15-23(3)10-24(4)16-30)41-38(32-19-27(7)12-28(8)20-32)34(39(33)42)37(40-35)31-17-25(5)11-26(6)18-31/h9-20,33-38,40-41H,1-8H3/t33-,34-,35-,36-,37+,38-/m1/s1
InChIKey NOKGVUPKLKJVFY-XQEARHMCSA-N
Literature Reference Author V.VIJAYAKUMAR,M.SUNDARAVADIVELU,S.PERUMAL
Literature Reference Citation MAGN.RES.CHEM.,39,101(2001)
Literature Reference DOI 10.1002/1097-458x(200102)39:2<101::aid-mrc797>3.0.co;2-f
Molecular Weight 556.791 g/mol
Solvent CDCl3
Source File Reference UWSI24822