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2-[(Z)-2-CHLORO-2,2-DIFLUORO-1-(4-METHOXYANILINO)-ETHYLIDENE]-1-CYCLOPENTANONE
SpectraBase Compound ID 4rfGqQFg7jp
InChI InChI=1S/2C14H14ClF2NO2/c2*1-20-10-7-5-9(6-8-10)18-13(14(15,16)17)11-3-2-4-12(11)19/h2*5-8,18H,2-4H2,1H3/b13-11+;13-11-
InChIKey TVCQEYLSDRAXDK-XXIHXYBNSA-N
Mol Weight 603.44 g/mol
Molecular Formula C28H28Cl2F4N2O4
Exact Mass 602.136225 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 22xRgpq86CI
Name 2-[(Z)-2-CHLORO-2,2-DIFLUORO-1-(4-METHOXYANILINO)-ETHYLIDENE]-1-CYCLOPENTANONE
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H28Cl2F4N2O4
InChI InChI=1S/2C14H14ClF2NO2/c2*1-20-10-7-5-9(6-8-10)18-13(14(15,16)17)11-3-2-4-12(11)19/h2*5-8,18H,2-4H2,1H3/b13-11+;13-11-
InChIKey TVCQEYLSDRAXDK-XXIHXYBNSA-N
Literature Reference Author S.FUSTERO,M.G.D.L.TORRE,B.PINA,A.S.FUENTES
Literature Reference Citation J.ORG.CHEM.,64,5551(1999)
Literature Reference DOI 10.1021/jo990392w
Molecular Weight 603.441 g/mol
Sample ID 41308
Solvent CDCl3