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3,6,8,10-TETRACYCLOHEXYL-1-NITROPYRENE

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3,6,8,10-TETRACYCLOHEXYL-1-NITROPYRENE
SpectraBase Compound ID CPASwVby1pF
InChI InChI=1S/C40H49NO2/c42-41(43)37-25-34(28-17-9-3-10-18-28)31-22-21-30-32(26-13-5-1-6-14-26)23-33(27-15-7-2-8-16-27)36-24-35(29-19-11-4-12-20-29)39(37)40(31)38(30)36/h21-29H,1-20H2
InChIKey LLFKLLMOGGEUKG-UHFFFAOYSA-N
Mol Weight 575.8 g/mol
Molecular Formula C40H49NO2
Exact Mass 575.37633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HIJ14IXi3Ri
Name 3,6,8,10-TETRACYCLOHEXYL-1-NITROPYRENE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H49NO2
InChI InChI=1S/C40H49NO2/c42-41(43)37-25-34(28-17-9-3-10-18-28)31-22-21-30-32(26-13-5-1-6-14-26)23-33(27-15-7-2-8-16-27)36-24-35(29-19-11-4-12-20-29)39(37)40(31)38(30)36/h21-29H,1-20H2
InChIKey LLFKLLMOGGEUKG-UHFFFAOYSA-N
Literature Reference Author K.K.LAALI,S.BOLVIG,P.E.HANSEN
Literature Reference Citation J.CHEM.SOC.PERKIN-2,537(1995)
Literature Reference DOI 10.1039/p29950000537
Molecular Weight 575.835 g/mol
Solvent CDCl3
Source File Reference UWMZ6162