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2-Ethoxyethyl 4-(2,3-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID Aa2xphwNDGn
InChI InChI=1S/C23H27Cl2NO4/c1-5-29-9-10-30-22(28)18-13(2)26-16-11-23(3,4)12-17(27)20(16)19(18)14-7-6-8-15(24)21(14)25/h6-8,19,26H,5,9-12H2,1-4H3
InChIKey GEVAZLMEJGGZFY-UHFFFAOYSA-N
Mol Weight 452.38 g/mol
Molecular Formula C23H27Cl2NO4
Exact Mass 451.131714 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CujsqrFuvCm
Name 2-Ethoxyethyl 4-(2,3-dichlorophenyl)-2,7,7-trimethyl-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 451.131713749 u
Formula C23H27Cl2NO4
InChI InChI=1S/C23H27Cl2NO4/c1-5-29-9-10-30-22(28)18-13(2)26-16-11-23(3,4)12-17(27)20(16)19(18)14-7-6-8-15(24)21(14)25/h6-8,19,26H,5,9-12H2,1-4H3
InChIKey GEVAZLMEJGGZFY-UHFFFAOYSA-N
Molecular Weight 452.378 g/mol
SMILES N1C(=C(C(C=2C(CC(CC12)(C)C)=O)C1=C(C(Cl)=CC=C1)Cl)C(=O)OCCOCC)C