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2-[(4'-ETHYLPHENYL)-AMINE]-1,4-NAPHTHALENEDIONE
SpectraBase Compound ID BbR7pNsC5Wc
InChI InChI=1S/2C18H15NO2/c2*1-2-12-7-9-13(10-8-12)19-16-11-17(20)14-5-3-4-6-15(14)18(16)21/h2*3-11,19H,2H2,1H3
InChIKey WBGIHODKHVPXCN-UHFFFAOYSA-N
Mol Weight 554.65 g/mol
Molecular Formula C36H30N2O4
Exact Mass 554.220557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4tAQG6bkTpq
Name 2-[(4'-ETHYLPHENYL)-AMINE]-1,4-NAPHTHALENEDIONE
Compound Number P-ETPAN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H30N2O4
InChI InChI=1S/2C18H15NO2/c2*1-2-12-7-9-13(10-8-12)19-16-11-17(20)14-5-3-4-6-15(14)18(16)21/h2*3-11,19H,2H2,1H3
InChIKey WBGIHODKHVPXCN-UHFFFAOYSA-N
Literature Reference Author M.AGUILAR-MARTINEZ,G.CUEVAS,M.JIMENEZ-ESTRADA,I.GONZALEZ,B.L OTINA-HENNSEN,N.MARC
Literature Reference Citation J.ORG.CHEM.,64,3684(1999)
Literature Reference DOI 10.1021/jo990186o
Molecular Weight 554.645 g/mol
Sample ID 59242
Solvent CDCl3