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

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Methyl 7-(4-chlorophenyl)-2-methyl-5-oxo-4-(4-propoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID 9cH2ent0lql
InChI InChI=1S/C27H28ClNO4/c1-4-13-33-21-11-7-18(8-12-21)25-24(27(31)32-3)16(2)29-22-14-19(15-23(30)26(22)25)17-5-9-20(28)10-6-17/h5-12,19,25,29H,4,13-15H2,1-3H3
InChIKey YHXXEMIEICJDJD-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 qOPEPnBXpX
Name Methyl 7-(4-chlorophenyl)-2-methyl-5-oxo-4-(4-propoxyphenyl)-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/c1-4-13-33-21-11-7-18(8-12-21)25-24(27(31)32-3)16(2)29-22-14-19(15-23(30)26(22)25)17-5-9-20(28)10-6-17/h5-12,19,25,29H,4,13-15H2,1-3H3
InChIKey YHXXEMIEICJDJD-UHFFFAOYSA-N
Molecular Weight 465.977 g/mol
SMILES N1C2=C(C(C(=C1C)C(=O)OC)C1=CC=C(C=C1)OCCC)C(CC(C2)C1=CC=C(C=C1)Cl)=O