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3-Quinolinecarboxylic acid, 4-(4-chlorophenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, butyl ester

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3-Quinolinecarboxylic acid, 4-(4-chlorophenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, butyl ester
SpectraBase Compound ID BlF4Q0wE8Ha
InChI InChI=1S/C23H28ClNO3/c1-5-6-11-28-22(27)19-14(2)25-17-12-23(3,4)13-18(26)21(17)20(19)15-7-9-16(24)10-8-15/h7-10,20,25H,5-6,11-13H2,1-4H3
InChIKey XCQHBEFAFKOBRJ-UHFFFAOYSA-N
Mol Weight 401.93 g/mol
Molecular Formula C23H28ClNO3
Exact Mass 401.175771 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6fyCMEzyUEx
Name 3-Quinolinecarboxylic acid, 4-(4-chlorophenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.175771463 u
Formula C23H28ClNO3
InChI InChI=1S/C23H28ClNO3/c1-5-6-11-28-22(27)19-14(2)25-17-12-23(3,4)13-18(26)21(17)20(19)15-7-9-16(24)10-8-15/h7-10,20,25H,5-6,11-13H2,1-4H3
InChIKey XCQHBEFAFKOBRJ-UHFFFAOYSA-N
Molecular Weight 401.934 g/mol
SMILES N1C2=C(C(C(=C1C)C(=O)OCCCC)C1=CC=C(C=C1)Cl)C(CC(C2)(C)C)=O