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4,8,9,10-TETRAKIS-(4-METHYLPHEYL)-1,3-DIAZA-6-ADAMANTANONE
SpectraBase Compound ID 2QKDVVBgdxY
InChI InChI=1S/C36H36N2O/c1-22-5-13-26(14-6-22)32-30-33(27-15-7-23(2)8-16-27)38-21-37(32)34(28-17-9-24(3)10-18-28)31(36(30)39)35(38)29-19-11-25(4)12-20-29/h5-20,30-35H,21H2,1-4H3/t30-,31+,32-,33+,34+,35-
InChIKey GBBIZUBSGDZUGP-HUXKOFLFSA-N
Mol Weight 512.7 g/mol
Molecular Formula C36H36N2O
Exact Mass 512.282764 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EtYK0q6UUYm
Name 4,8,9,10-TETRAKIS-(4-METHYLPHEYL)-1,3-DIAZA-6-ADAMANTANONE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H36N2O
InChI InChI=1S/C36H36N2O/c1-22-5-13-26(14-6-22)32-30-33(27-15-7-23(2)8-16-27)38-21-37(32)34(28-17-9-24(3)10-18-28)31(36(30)39)35(38)29-19-11-25(4)12-20-29/h5-20,30-35H,21H2,1-4H3/t30-,31+,32-,33+,34+,35-
InChIKey GBBIZUBSGDZUGP-HUXKOFLFSA-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 512.695 g/mol
Solvent CDCl3
Source File Reference UWCS5856