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2-(2,4-Dichlorophenyl)-2-oxoethyl 2-(4-methoxyphenyl)-6-methyl-4-quinolinecarboxylate
SpectraBase Compound ID KDjMqUDXu36
InChI InChI=1S/C26H19Cl2NO4/c1-15-3-10-23-20(11-15)21(13-24(29-23)16-4-7-18(32-2)8-5-16)26(31)33-14-25(30)19-9-6-17(27)12-22(19)28/h3-13H,14H2,1-2H3
InChIKey WOJYVKDIKUSFOT-UHFFFAOYSA-N
Mol Weight 480.35 g/mol
Molecular Formula C26H19Cl2NO4
Exact Mass 479.069113 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KagmhNfluYk
Name 2-(2,4-Dichlorophenyl)-2-oxoethyl 2-(4-methoxyphenyl)-6-methyl-4-quinolinecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 479.069113492 u
Formula C26H19Cl2NO4
InChI InChI=1S/C26H19Cl2NO4/c1-15-3-10-23-20(11-15)21(13-24(29-23)16-4-7-18(32-2)8-5-16)26(31)33-14-25(30)19-9-6-17(27)12-22(19)28/h3-13H,14H2,1-2H3
InChIKey WOJYVKDIKUSFOT-UHFFFAOYSA-N
Molecular Weight 480.347 g/mol
SMILES C=1(C=2C(=CC=C(C2)C)N=C(C1)C1=CC=C(C=C1)OC)C(OCC(C=1C(=CC(=CC1)Cl)Cl)=O)=O