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4-[4-[[4-CHLORO-3-(TRIFLUOROMETHY)-PHENYL]-CARBAMOYLAMINO]-PHENOXY]-N-CYCLOHEXYLMETHYL-PYRIDINE-2-CARBOXAMIDE
SpectraBase Compound ID 7jjhfAq8DBU
InChI InChI=1S/C27H26ClF3N4O3/c28-23-11-8-19(14-22(23)27(29,30)31)35-26(37)34-18-6-9-20(10-7-18)38-21-12-13-32-24(15-21)25(36)33-16-17-4-2-1-3-5-17/h6-15,17H,1-5,16H2,(H,33,36)(H2,34,35,37)
InChIKey VGRAULLSDISDHG-UHFFFAOYSA-N
Mol Weight 546.98 g/mol
Molecular Formula C27H26ClF3N4O3
Exact Mass 546.164553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6sfk1OjawSC
Name 4-[4-[[4-CHLORO-3-(TRIFLUOROMETHY)-PHENYL]-CARBAMOYLAMINO]-PHENOXY]-N-CYCLOHEXYLMETHYL-PYRIDINE-2-CARBOXAMIDE
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H26ClF3N4O3
InChI InChI=1S/C27H26ClF3N4O3/c28-23-11-8-19(14-22(23)27(29,30)31)35-26(37)34-18-6-9-20(10-7-18)38-21-12-13-32-24(15-21)25(36)33-16-17-4-2-1-3-5-17/h6-15,17H,1-5,16H2,(H,33,36)(H2,34,35,37)
InChIKey VGRAULLSDISDHG-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 546.977 g/mol
Sample ID 73093
Solvent DMSO-D6