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4-(N-(3-TRIFLUOROMETHYLPHENYL)-AMINO)-PENT-3-EN-2-ONE

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4-(N-(3-TRIFLUOROMETHYLPHENYL)-AMINO)-PENT-3-EN-2-ONE
SpectraBase Compound ID 4z5P1GPkKiC
InChI InChI=1S/C12H12F3NO/c1-8(6-9(2)17)16-11-5-3-4-10(7-11)12(13,14)15/h3-7,16H,1-2H3/b8-6+
InChIKey KXRHFRNOXDARAF-SOFGYWHQSA-N
Mol Weight 243.23 g/mol
Molecular Formula C12H12F3NO
Exact Mass 243.087098 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AeS8h1aabVm
Name 4-(N-(3-TRIFLUOROMETHYLPHENYL)-AMINO)-PENT-3-EN-2-ONE
Compound Number 2H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12F3NO
InChI InChI=1S/C12H12F3NO/c1-8(6-9(2)17)16-11-5-3-4-10(7-11)12(13,14)15/h3-7,16H,1-2H3/b8-6+
InChIKey KXRHFRNOXDARAF-SOFGYWHQSA-N
Literature Reference Author J.C.ZHUO
Literature Reference Citation MAGN.RES.CHEM.,35,311(1997)
Literature Reference DOI 10.1002/(sici)1097-458x(199705)35:5<311::aid-omr94>3.0.co;2-m
Solvent CDCl3
Source File Reference UWCP4613