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2-(2,4-dichlorophenoxy)-3-phenyl-5-methyl-3H-pyrimido[5,4-c]quinolin-4-one
SpectraBase Compound ID BCaICD4otEk
InChI InChI=1S/C24H15Cl2N3O2/c1-14-21-22(17-9-5-6-10-19(17)27-14)28-24(31-20-12-11-15(25)13-18(20)26)29(23(21)30)16-7-3-2-4-8-16/h2-13H,1H3
InChIKey NABKZBSVLLRLHU-UHFFFAOYSA-N
Mol Weight 448.31 g/mol
Molecular Formula C24H15Cl2N3O2
Exact Mass 447.054132 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KHG3yBIKffG
Name 2-(2,4-Dichlorophenoxy)-3-phenyl-5-methyl-3H-pyrimido[5,4-C]quinolin-4-one
Comments Computed using HOSE algorithm
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Exact Mass 447.054132133 u
Formula C24H15Cl2N3O2
InChI InChI=1S/C24H15Cl2N3O2/c1-14-21-22(17-9-5-6-10-19(17)27-14)28-24(31-20-12-11-15(25)13-18(20)26)29(23(21)30)16-7-3-2-4-8-16/h2-13H,1H3
InChIKey NABKZBSVLLRLHU-UHFFFAOYSA-N
Molecular Weight 448.309 g/mol
SMILES C=1(N(C(C2=C(N1)C=1C=CC=CC1N=C2C)=O)C=1C=CC=CC1)OC1=C(C=C(C=C1)Cl)Cl