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3-Quinolinecarboxylic acid, 7-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, 2-ethoxyethyl ester

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3-Quinolinecarboxylic acid, 7-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, 2-ethoxyethyl ester
SpectraBase Compound ID 176m9UKTy3j
InChI InChI=1S/C29H32ClNO6/c1-5-36-12-13-37-29(33)26-17(2)31-23-14-19(18-6-8-20(30)9-7-18)15-24(32)28(23)27(26)22-11-10-21(34-3)16-25(22)35-4/h6-11,16,19,27,31H,5,12-15H2,1-4H3
InChIKey QEHAGPMYBWRUGJ-UHFFFAOYSA-N
Mol Weight 526.0 g/mol
Molecular Formula C29H32ClNO6
Exact Mass 525.191815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9tdoIwVXlV
Name 3-Quinolinecarboxylic acid, 7-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, 2-ethoxyethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 525.191815448 u
Formula C29H32ClNO6
InChI InChI=1S/C29H32ClNO6/c1-5-36-12-13-37-29(33)26-17(2)31-23-14-19(18-6-8-20(30)9-7-18)15-24(32)28(23)27(26)22-11-10-21(34-3)16-25(22)35-4/h6-11,16,19,27,31H,5,12-15H2,1-4H3
InChIKey QEHAGPMYBWRUGJ-UHFFFAOYSA-N
Molecular Weight 526.029 g/mol
SMILES N1C(=C(C(C=2C(CC(CC12)C1=CC=C(C=C1)Cl)=O)C1=C(C=C(C=C1)OC)OC)C(=O)OCCOCC)C