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PROTONATED_CYCLISED_FORM_OF_2,4,6,8,10-PENTAISOPROPYL-1,3-DINITROPYRENE;MAJOR_FORM
SpectraBase Compound ID Fnw1MdL2yau
InChI InChI=1S/C31H38N2O3/c1-14(2)18-11-19(15(3)4)23-13-21(17(7)8)26-27-24(23)22(18)12-20(16(5)6)25(27)29-28(30(26)33(34)35)31(9,10)36-32-29/h11-17,28H,1-10H3
InChIKey CCQBKLMNYGUPER-UHFFFAOYSA-N
Mol Weight 486.7 g/mol
Molecular Formula C31H38N2O3
Exact Mass 486.288243 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lvps0gjw9hm
Name PROTONATED_CYCLISED_FORM_OF_2,4,6,8,10-PENTAISOPROPYL-1,3-DINITROPYRENE;MAJOR_FORM
Compound Number 14;12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H38N2O3
InChI InChI=1S/C31H38N2O3/c1-14(2)18-11-19(15(3)4)23-13-21(17(7)8)26-27-24(23)22(18)12-20(16(5)6)25(27)29-28(30(26)33(34)35)31(9,10)36-32-29/h11-17,28H,1-10H3
InChIKey CCQBKLMNYGUPER-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 486.654 g/mol
Solvent FSO3H-SO2