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2,2-DIFLUORO-1-PHENYL-1-[(1R)-1-PHENYLETHYLAMINO]-UNDECAN-3-ONE;MAJOR-DIASTEREOMER
SpectraBase Compound ID LMU3YZKinib
InChI InChI=1S/C25H33F2NO/c1-3-4-5-6-7-14-19-23(29)25(26,27)24(22-17-12-9-13-18-22)28-20(2)21-15-10-8-11-16-21/h8-13,15-18,20,24,28H,3-7,14,19H2,1-2H3/t20-,24?/m0/s1
InChIKey FLEICBFYMXRPDS-QHELBMECSA-N
Mol Weight 401.5 g/mol
Molecular Formula C25H33F2NO
Exact Mass 401.253021 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bddf4i6lffu
Name 2,2-DIFLUORO-1-PHENYL-1-[(1R)-1-PHENYLETHYLAMINO]-UNDECAN-3-ONE;MAJOR-DIASTEREOMER
Compound Number 5G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H33F2NO
InChI InChI=1S/C25H33F2NO/c1-3-4-5-6-7-14-19-23(29)25(26,27)24(22-17-12-9-13-18-22)28-20(2)21-15-10-8-11-16-21/h8-13,15-18,20,24,28H,3-7,14,19H2,1-2H3/t20-,24?/m0/s1
InChIKey FLEICBFYMXRPDS-QHELBMECSA-N
Literature Reference Author S.JONET,F.CHEROUVRIER,T.BRIGAUD,C.PORTELLA
Literature Reference Citation EUR.J.ORG.CHEM.,4304(2005)
Molecular Weight 401.540 g/mol
Sample ID 41285
Solvent CDCl3