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4,8,9,10-TETRA-(PARA-METHOXYPHENYL)-1,3-DIAZAADAMANTAN-6-ONE
SpectraBase Compound ID sepFuRTXHT
InChI InChI=1S/C36H36N2O5/c1-40-26-13-5-22(6-14-26)32-30-33(23-7-15-27(41-2)16-8-23)38-21-37(32)34(24-9-17-28(42-3)18-10-24)31(36(30)39)35(38)25-11-19-29(43-4)20-12-25/h5-20,30-35H,21H2,1-4H3/t30-,31-,32-,33-,34-,35+/m1/s1
InChIKey GRBMWGJGRWVCLB-JBSILAQMSA-N
Mol Weight 576.7 g/mol
Molecular Formula C36H36N2O5
Exact Mass 576.262422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1lyzwSF49Wk
Name 4,8,9,10-TETRA-(PARA-METHOXYPHENYL)-1,3-DIAZAADAMANTAN-6-ONE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H36N2O5
InChI InChI=1S/C36H36N2O5/c1-40-26-13-5-22(6-14-26)32-30-33(23-7-15-27(41-2)16-8-23)38-21-37(32)34(24-9-17-28(42-3)18-10-24)31(36(30)39)35(38)25-11-19-29(43-4)20-12-25/h5-20,30-35H,21H2,1-4H3/t30-,31-,32-,33-,34-,35+/m1/s1
InChIKey GRBMWGJGRWVCLB-JBSILAQMSA-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 576.692 g/mol
Solvent CDCl3
Source File Reference UWSI24829