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2-(BUTYLAMINO)-3-(4-CHLOROPHENYL)-5-METHYL-PYRIMIDO-[5,4-C]-QUINOLINE-4(3H)-ONE
SpectraBase Compound ID EDNwRGhkHay
InChI InChI=1S/C22H21ClN4O/c1-3-4-13-24-22-26-20-17-7-5-6-8-18(17)25-14(2)19(20)21(28)27(22)16-11-9-15(23)10-12-16/h5-12H,3-4,13H2,1-2H3,(H,24,26)
InChIKey FXAGATKPPBYZSU-UHFFFAOYSA-N
Mol Weight 392.89 g/mol
Molecular Formula C22H21ClN4O
Exact Mass 392.140389 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DL2sECPyIBo
Name 2-(BUTYLAMINO)-3-(4-CHLOROPHENYL)-5-METHYL-PYRIMIDO-[5,4-C]-QUINOLINE-4(3H)-ONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H21ClN4O
InChI InChI=1S/C22H21ClN4O/c1-3-4-13-24-22-26-20-17-7-5-6-8-18(17)25-14(2)19(20)21(28)27(22)16-11-9-15(23)10-12-16/h5-12H,3-4,13H2,1-2H3,(H,24,26)
InChIKey FXAGATKPPBYZSU-UHFFFAOYSA-N
Literature Reference Author Y.AI,G.YANG,J.LIU,Y.CHEN,L.LIU,X.LEI
Literature Reference Citation MAGN.RES.CHEM.,48,955(2010)
Literature Reference DOI 10.1002/mrc.2689
Molecular Weight 392.888 g/mol
Solvent CDCl3
Source File Reference UWIR16904