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6H-Dibenzo[de,g]quinoline-6-carboxylic acid, 4,5-dihydro-1,2-dimethoxy-, ethyl ester
SpectraBase Compound ID DlXMXeOTqGl
InChI InChI=1S/C21H21NO4/c1-4-26-21(23)22-10-9-14-12-17(24-2)20(25-3)19-15-8-6-5-7-13(15)11-16(22)18(14)19/h5-8,11-12H,4,9-10H2,1-3H3
InChIKey VRYPFIBWWZHUOX-UHFFFAOYSA-N
Mol Weight 351.4 g/mol
Molecular Formula C21H21NO4
Exact Mass 351.147058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LKHUBFLy9kv
Name 6H-Dibenzo[de,G]quinoline-6-carboxylic acid, 4,5-dihydro-1,2-dimethoxy-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 351.147058156 u
Formula C21H21NO4
InChI InChI=1S/C21H21NO4/c1-4-26-21(23)22-10-9-14-12-17(24-2)20(25-3)19-15-8-6-5-7-13(15)11-16(22)18(14)19/h5-8,11-12H,4,9-10H2,1-3H3
InChIKey VRYPFIBWWZHUOX-UHFFFAOYSA-N
Molecular Weight 351.402 g/mol
SMILES C1=2N(CCC3=CC(=C(C(C23)=C2C(=C1)C=CC=C2)OC)OC)C(=O)OCC