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2-Methyl-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester
SpectraBase Compound ID AvsB4Crbsz1
InChI InChI=1S/C19H20N2O5/c1-3-26-19(23)16-11(2)20-14-5-4-6-15(22)18(14)17(16)12-7-9-13(10-8-12)21(24)25/h7-10,17,20H,3-6H2,1-2H3
InChIKey YZFVYGFZIGZWMB-UHFFFAOYSA-N
Mol Weight 356.38 g/mol
Molecular Formula C19H20N2O5
Exact Mass 356.137222 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8OFbjVU98Bi
Name 2-Methyl-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 356.137221747 u
Formula C19H20N2O5
InChI InChI=1S/C19H20N2O5/c1-3-26-19(23)16-11(2)20-14-5-4-6-15(22)18(14)17(16)12-7-9-13(10-8-12)21(24)25/h7-10,17,20H,3-6H2,1-2H3
InChIKey YZFVYGFZIGZWMB-UHFFFAOYSA-N
Molecular Weight 356.378 g/mol
SMILES C=1(NC=2CCCC(C2C(C1C(=O)OCC)C=1C=CC(=CC1)N(=O)=O)=O)C