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2-[(3'-METHYLPHENYL)-AMINE]-1,4-NAPHTHALENEDIONE
SpectraBase Compound ID FBTYoe601KE
InChI InChI=1S/2C17H13NO2/c2*1-11-5-4-6-12(9-11)18-15-10-16(19)13-7-2-3-8-14(13)17(15)20/h2*2-10,18H,1H3
InChIKey XDJJKQXIFCFRMO-UHFFFAOYSA-N
Mol Weight 526.59 g/mol
Molecular Formula C34H26N2O4
Exact Mass 526.189257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1CQoajEf3C3
Name 2-[(3'-METHYLPHENYL)-AMINE]-1,4-NAPHTHALENEDIONE
Compound Number M-MEPAN
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H26N2O4
InChI InChI=1S/2C17H13NO2/c2*1-11-5-4-6-12(9-11)18-15-10-16(19)13-7-2-3-8-14(13)17(15)20/h2*2-10,18H,1H3
InChIKey XDJJKQXIFCFRMO-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 526.591 g/mol
Sample ID 59240
Solvent CDCl3