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2-[(4'-(TRIFLUOROMETHYL)-PHENYL)-AMINE]-1,4-NAPHTHALENEDIONE
SpectraBase Compound ID 943bMDqUOa7
InChI InChI=1S/C17H10F3NO2/c18-17(19,20)10-5-7-11(8-6-10)21-14-9-15(22)12-3-1-2-4-13(12)16(14)23/h1-9,21H
InChIKey DNERHMSFZSBLJZ-UHFFFAOYSA-N
Mol Weight 317.27 g/mol
Molecular Formula C17H10F3NO2
Exact Mass 317.066363 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DXPBQzZkzNL
Name 2-[(4'-(TRIFLUOROMETHYL)-PHENYL)-AMINE]-1,4-NAPHTHALENEDIONE
Compound Number P-CF3PAN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H10F3NO2
InChI InChI=1S/C17H10F3NO2/c18-17(19,20)10-5-7-11(8-6-10)21-14-9-15(22)12-3-1-2-4-13(12)16(14)23/h1-9,21H
InChIKey DNERHMSFZSBLJZ-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 317.267 g/mol
Sample ID 59245
Solvent CDCl3