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PROTONATED_CYCLISED_FORM_OF_3,6,8,10-TETRACYCLOHEXYL-1-NITROPYRENE
SpectraBase Compound ID DGoe4vMDVCS
InChI InChI=1S/C40H49NO/c1-4-12-25(13-5-1)31-22-32(26-14-6-2-7-15-26)35-23-34-28-18-10-11-19-37(28)42-41-36-24-33(27-16-8-3-9-17-27)30-21-20-29(31)38(35)40(30)39(34)36/h20-23,25-28,37H,1-19,24H2
InChIKey GQNVVJLIEWOMLY-UHFFFAOYSA-N
Mol Weight 559.8 g/mol
Molecular Formula C40H49NO
Exact Mass 559.381415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4TujLYMdX1K
Name PROTONATED_CYCLISED_FORM_OF_3,6,8,10-TETRACYCLOHEXYL-1-NITROPYRENE
Compound Number 18;16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H49NO
InChI InChI=1S/C40H49NO/c1-4-12-25(13-5-1)31-22-32(26-14-6-2-7-15-26)35-23-34-28-18-10-11-19-37(28)42-41-36-24-33(27-16-8-3-9-17-27)30-21-20-29(31)38(35)40(30)39(34)36/h20-23,25-28,37H,1-19,24H2
InChIKey GQNVVJLIEWOMLY-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 559.835 g/mol
Solvent FSO3H-SO2