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Ethyl 7-(4-chlorophenyl)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

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Ethyl 7-(4-chlorophenyl)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID A6ozTJNgZJp
InChI InChI=1S/C27H28ClNO4/c1-4-32-21-12-8-18(9-13-21)25-24(27(31)33-5-2)16(3)29-22-14-19(15-23(30)26(22)25)17-6-10-20(28)11-7-17/h6-13,19,25,29H,4-5,14-15H2,1-3H3
InChIKey IUMDBTWZESGCPA-UHFFFAOYSA-N
Mol Weight 465.98 g/mol
Molecular Formula C27H28ClNO4
Exact Mass 465.170686 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2DNITROl5ij
Name Ethyl 7-(4-chlorophenyl)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 465.170686082 u
Formula C27H28ClNO4
InChI InChI=1S/C27H28ClNO4/c1-4-32-21-12-8-18(9-13-21)25-24(27(31)33-5-2)16(3)29-22-14-19(15-23(30)26(22)25)17-6-10-20(28)11-7-17/h6-13,19,25,29H,4-5,14-15H2,1-3H3
InChIKey IUMDBTWZESGCPA-UHFFFAOYSA-N
Molecular Weight 465.977 g/mol
SMILES N1C2=C(C(C(=C1C)C(=O)OCC)C1=CC=C(C=C1)OCC)C(CC(C2)C=1C=CC(=CC1)Cl)=O