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4-[4-[[4-CHLORO-3-(TRIFLUOROMETHY)-PHENYL]-CARBAMOYLAMINO]-PHENOXY]-N-PHENYLETHYL-PYRIDINE-2-CARBOXAMIDE

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4-[4-[[4-CHLORO-3-(TRIFLUOROMETHY)-PHENYL]-CARBAMOYLAMINO]-PHENOXY]-N-PHENYLETHYL-PYRIDINE-2-CARBOXAMIDE
SpectraBase Compound ID KyCkJyPkBWn
InChI InChI=1S/C28H22ClF3N4O3/c29-24-11-8-20(16-23(24)28(30,31)32)36-27(38)35-19-6-9-21(10-7-19)39-22-13-15-33-25(17-22)26(37)34-14-12-18-4-2-1-3-5-18/h1-11,13,15-17H,12,14H2,(H,34,37)(H2,35,36,38)
InChIKey CZXCKQLDOQLLGR-UHFFFAOYSA-N
Mol Weight 554.96 g/mol
Molecular Formula C28H22ClF3N4O3
Exact Mass 554.133253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID xpHnyn2Pgg
Name 4-[4-[[4-CHLORO-3-(TRIFLUOROMETHY)-PHENYL]-CARBAMOYLAMINO]-PHENOXY]-N-PHENYLETHYL-PYRIDINE-2-CARBOXAMIDE
Compound Number 4E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H22ClF3N4O3
InChI InChI=1S/C28H22ClF3N4O3/c29-24-11-8-20(16-23(24)28(30,31)32)36-27(38)35-19-6-9-21(10-7-19)39-22-13-15-33-25(17-22)26(37)34-14-12-18-4-2-1-3-5-18/h1-11,13,15-17H,12,14H2,(H,34,37)(H2,35,36,38)
InChIKey CZXCKQLDOQLLGR-UHFFFAOYSA-N
Literature Reference Author Z.BABIC,M.CRKVENCIC,Z.RAJIC,A.M.MIKECIN,M.KRALJ,J.BALZARINI, M.PETROVA,J.VANDERLE
Literature Reference Citation MOLECULES,17,1124(2012)
Literature Reference DOI 10.3390/molecules17011124
Molecular Weight 554.956 g/mol
Sample ID 73095
Solvent DMSO-D6