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pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione, 8-chloro-10-(4-chlorophenyl)-
SpectraBase Compound ID H6PvSitklSZ
InChI InChI=1S/C17H9Cl2N3O2/c18-10-3-5-12(6-4-10)22-14-8-11(19)2-1-9(14)7-13-15(22)20-17(24)21-16(13)23/h1-8H,(H,21,23,24)
InChIKey FQCKGCLJKFRCJP-UHFFFAOYSA-N
Mol Weight 358.18 g/mol
Molecular Formula C17H9Cl2N3O2
Exact Mass 357.007182 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Brg2FYxgyG
Name Pyrimido[4,5-B]quinoline-2,4(3H,10H)-dione, 8-chloro-10-(4-chlorophenyl)-
Comments Computed using HOSE algorithm
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Exact Mass 357.007181940 u
Formula C17H9Cl2N3O2
InChI InChI=1S/C17H9Cl2N3O2/c18-10-3-5-12(6-4-10)22-14-8-11(19)2-1-9(14)7-13-15(22)20-17(24)21-16(13)23/h1-8H,(H,21,23,24)
InChIKey FQCKGCLJKFRCJP-UHFFFAOYSA-N
Molecular Weight 358.184 g/mol
SMILES N1C(C=2C(=NC1=O)N(C1=C(C2)C=CC(=C1)Cl)C1=CC=C(C=C1)Cl)=O