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4-AMINO-1-(4-FLUOROPHENYLMETHYL)-3-(MORPHOLIN-4-YL)-2-(1H)-QUINOLONE;MIXTURE_OF_ISOMERS
SpectraBase Compound ID 2L5e48cVBbf
InChI InChI=1S/2C20H20FN3O2/c2*21-15-7-5-14(6-8-15)13-24-17-4-2-1-3-16(17)18(22)19(20(24)25)23-9-11-26-12-10-23/h2*1-8H,9-13,22H2
InChIKey YYYCOIUPKJDTLC-UHFFFAOYSA-N
Mol Weight 706.79 g/mol
Molecular Formula C40H40F2N6O4
Exact Mass 706.30791 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ISYI9ueh5u9
Name 4-AMINO-1-(4-FLUOROPHENYLMETHYL)-3-(MORPHOLIN-4-YL)-2-(1H)-QUINOLONE;MIXTURE_OF_ISOMERS
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H40F2N6O4
InChI InChI=1S/2C20H20FN3O2/c2*21-15-7-5-14(6-8-15)13-24-17-4-2-1-3-16(17)18(22)19(20(24)25)23-9-11-26-12-10-23/h2*1-8H,9-13,22H2
InChIKey YYYCOIUPKJDTLC-UHFFFAOYSA-N
Literature Reference Author M.REHWALD,K.GEWALD,H.J.LANKAU,K.UNVERFERTH
Literature Reference Citation HETEROCYCLES,45,483(1997)
Literature Reference DOI 10.3987/COM-96-7700
Molecular Weight 706.792 g/mol
Solvent DMSO-D6
Source File Reference UWMZ2380