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4,8,9,10-TETRA-(3,5-DIMETHYLPHENYL)-1,3-DIAZAADAMANTAN-6-ONE
SpectraBase Compound ID 30X9JS2Rj9F
InChI InChI=1S/C40H44N2O/c1-22-9-23(2)14-30(13-22)36-34-37(31-15-24(3)10-25(4)16-31)42-21-41(36)38(32-17-26(5)11-27(6)18-32)35(40(34)43)39(42)33-19-28(7)12-29(8)20-33/h9-20,34-39H,21H2,1-8H3/t34-,35-,36-,37-,38-,39-/m1/s1
InChIKey OEDUCVLIUBAFDH-JCUPRAGWSA-N
Mol Weight 568.8 g/mol
Molecular Formula C40H44N2O
Exact Mass 568.345364 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1txsrBZ59Ir
Name 4,8,9,10-TETRA-(3,5-DIMETHYLPHENYL)-1,3-DIAZAADAMANTAN-6-ONE
Compound Number 3F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H44N2O
InChI InChI=1S/C40H44N2O/c1-22-9-23(2)14-30(13-22)36-34-37(31-15-24(3)10-25(4)16-31)42-21-41(36)38(32-17-26(5)11-27(6)18-32)35(40(34)43)39(42)33-19-28(7)12-29(8)20-33/h9-20,34-39H,21H2,1-8H3/t34-,35-,36-,37-,38-,39-/m1/s1
InChIKey OEDUCVLIUBAFDH-JCUPRAGWSA-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 568.802 g/mol
Solvent CDCl3
Source File Reference UWSI24832