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PROTONATED_FORM_OF_1,3,6,8-TETRAISOPROPYL-4-NITROPYRENE
SpectraBase Compound ID 7J3d1YID9Wu
InChI InChI=1S/C28H36NO2/c1-14(2)20-11-22(16(5)6)24-13-25(29(30)31)27-23(17(7)8)12-21(15(3)4)19-10-9-18(20)26(24)28(19)27/h9-17,27,30-31H,1-8H3/q+1
InChIKey MIHBFTMUGIGMPR-UHFFFAOYSA-N
Mol Weight 416.6 g/mol
Molecular Formula C28H34NO2
Exact Mass 416.258954 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H3vjEXl9u2q
Name PROTONATED_FORM_OF_1,3,6,8-TETRAISOPROPYL-4-NITROPYRENE
Compound Number 24;23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H34NO2
InChI InChI=1S/C28H36NO2/c1-14(2)20-11-22(16(5)6)24-13-25(29(30)31)27-23(17(7)8)12-21(15(3)4)19-10-9-18(20)26(24)28(19)27/h9-17,27,30-31H,1-8H3/q+1
InChIKey MIHBFTMUGIGMPR-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 416.583 g/mol
Solvent FSO3H-SO2