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1,1,1-TRIFLUORO-4-[(3-TRIFLUOROMETHYL)-PHENYL]-AMINOPENT-3-EN-2-ONE
SpectraBase Compound ID Ce3wg4Pcian
InChI InChI=1S/C12H9F6NO/c1-7(5-10(20)12(16,17)18)19-9-4-2-3-8(6-9)11(13,14)15/h2-6,19H,1H3/b7-5-
InChIKey YXWSAYYGPQPNSY-ALCCZGGFSA-N
Mol Weight 297.2 g/mol
Molecular Formula C12H9F6NO
Exact Mass 297.058833 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KdAfOPnftqM
Name 1,1,1-TRIFLUORO-4-[(3-TRIFLUOROMETHYL)-PHENYL]-AMINOPENT-3-EN-2-ONE
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H9F6NO
InChI InChI=1S/C12H9F6NO/c1-7(5-10(20)12(16,17)18)19-9-4-2-3-8(6-9)11(13,14)15/h2-6,19H,1H3/b7-5-
InChIKey YXWSAYYGPQPNSY-ALCCZGGFSA-N
Literature Reference Author A.A.ALI,K.N.WINZENBERG
Literature Reference Citation AUSTR.J.CHEM.,58,870(2005)
Literature Reference DOI 10.1071/CH05188
Molecular Weight 297.200 g/mol
Sample ID 29012
Solvent CDCl3