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2,4,8,9,10-PENTAKIS-(4-METHYLPHENYL)-1,3-DIAZA-6-ADAMANTANONE

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2,4,8,9,10-PENTAKIS-(4-METHYLPHENYL)-1,3-DIAZA-6-ADAMANTANONE
SpectraBase Compound ID 9v5tEwksi0R
InChI InChI=1S/C43H42N2O/c1-26-6-16-31(17-7-26)38-36-39(32-18-8-27(2)9-19-32)45-41(34-22-12-29(4)13-23-34)37(42(36)46)40(33-20-10-28(3)11-21-33)44(38)43(45)35-24-14-30(5)15-25-35/h6-25,36-41,43H,1-5H3/t36-,37+,38-,39-,40+,41-,43+/m1/s1
InChIKey GOWYAYXDRDDRJH-XAIHYGBQSA-N
Mol Weight 602.8 g/mol
Molecular Formula C43H42N2O
Exact Mass 602.329714 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ILFfNRSrgry
Name 2,4,8,9,10-PENTAKIS-(4-METHYLPHENYL)-1,3-DIAZA-6-ADAMANTANONE
Compound Number 14A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H42N2O
InChI InChI=1S/C43H42N2O/c1-26-6-16-31(17-7-26)38-36-39(32-18-8-27(2)9-19-32)45-41(34-22-12-29(4)13-23-34)37(42(36)46)40(33-20-10-28(3)11-21-33)44(38)43(45)35-24-14-30(5)15-25-35/h6-25,36-41,43H,1-5H3/t36-,37+,38-,39-,40+,41-,43+/m1/s1
InChIKey GOWYAYXDRDDRJH-XAIHYGBQSA-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 602.819 g/mol
Solvent CDCl3
Source File Reference UWCS5870