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6-Bromo-2-(2,4-diethoxyphenyl)-4-quinolinecarboxylic acid

View entire compound with spectra: 2 NMR

6-Bromo-2-(2,4-diethoxyphenyl)-4-quinolinecarboxylic acid
SpectraBase Compound ID AON4eLSqu3i
InChI InChI=1S/C20H18BrNO4/c1-3-25-13-6-7-14(19(10-13)26-4-2)18-11-16(20(23)24)15-9-12(21)5-8-17(15)22-18/h5-11H,3-4H2,1-2H3,(H,23,24)
InChIKey KZYDJVKDQJNUED-UHFFFAOYSA-N
Mol Weight 416.27 g/mol
Molecular Formula C20H18BrNO4
Exact Mass 415.041921 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ln46VgD3MbM
Name 6-Bromo-2-(2,4-diethoxyphenyl)-4-quinolinecarboxylic acid
Comments Computed using HOSE algorithm
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Exact Mass 415.041921060 u
Formula C20H18BrNO4
InChI InChI=1S/C20H18BrNO4/c1-3-25-13-6-7-14(19(10-13)26-4-2)18-11-16(20(23)24)15-9-12(21)5-8-17(15)22-18/h5-11H,3-4H2,1-2H3,(H,23,24)
InChIKey KZYDJVKDQJNUED-UHFFFAOYSA-N
Molecular Weight 416.271 g/mol
SMILES OC(C=1C=C(N=C2C=CC(=CC12)Br)C1=C(C=C(C=C1)OCC)OCC)=O