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N-[2-[(3R)-(1Z)-2-AZA-3-PHENYL-1-(TRIFLUOROMETHYL)-BUT-1-ENYL]-4-CHLOROPHENYL]-3-CYCLOPROPYLPROP-2-YNAMIDE
SpectraBase Compound ID 4tMXaX2VHAK
InChI InChI=1S/C22H18ClF3N2O/c1-14(16-5-3-2-4-6-16)27-21(22(24,25)26)18-13-17(23)10-11-19(18)28-20(29)12-9-15-7-8-15/h2-6,10-11,13-15H,7-8H2,1H3,(H,28,29)/b27-21-/t14-/m0/s1
InChIKey YCBLODQXYVFHPG-ULUDIPACSA-N
Mol Weight 418.85 g/mol
Molecular Formula C22H18ClF3N2O
Exact Mass 418.105975 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E17GU4aYFry
Name N-[2-[(3R)-(1Z)-2-AZA-3-PHENYL-1-(TRIFLUOROMETHYL)-BUT-1-ENYL]-4-CHLOROPHENYL]-3-CYCLOPROPYLPROP-2-YNAMIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H18ClF3N2O
InChI InChI=1S/C22H18ClF3N2O/c1-14(16-5-3-2-4-6-16)27-21(22(24,25)26)18-13-17(23)10-11-19(18)28-20(29)12-9-15-7-8-15/h2-6,10-11,13-15H,7-8H2,1H3,(H,28,29)/b27-21-/t14-/m0/s1
InChIKey YCBLODQXYVFHPG-ULUDIPACSA-N
Literature Reference Author N.A.MAGNUS,P.N.CONFALONE,L.STORACE,M.PATEL,C.C.WOOD,W.P.DAVI S,R.L.PARSONS
Literature Reference Citation J.ORG.CHEM.,68,754(2003)
Literature Reference DOI 10.1021/jo0263162
Solvent CDCl3
Source File Reference UWLU22735