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PROTONATED_CYCLISED_FORM_OF_1,3,6,8-TETRAISOPROPYL-4-NITROPYRENE
SpectraBase Compound ID 5NQFctQAOxP
InChI InChI=1S/C28H33NO/c1-14(2)19-11-20(15(3)4)22-13-24-27-23(28(7,8)30-29-24)12-21(16(5)6)18-10-9-17(19)25(22)26(18)27/h9-16,27H,1-8H3
InChIKey QNXJLICMYXZQMP-UHFFFAOYSA-N
Mol Weight 399.6 g/mol
Molecular Formula C28H33NO
Exact Mass 399.256215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GQHEVkJF3fr
Name PROTONATED_CYCLISED_FORM_OF_1,3,6,8-TETRAISOPROPYL-4-NITROPYRENE
Compound Number 25;23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H33NO
InChI InChI=1S/C28H33NO/c1-14(2)19-11-20(15(3)4)22-13-24-27-23(28(7,8)30-29-24)12-21(16(5)6)18-10-9-17(19)25(22)26(18)27/h9-16,27H,1-8H3
InChIKey QNXJLICMYXZQMP-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 399.576 g/mol
Solvent FSO3H-SO2