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2-Phenoxyethyl 4-(2,4-dichlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

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2-Phenoxyethyl 4-(2,4-dichlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID KVB1RTHwCQY
InChI InChI=1S/C25H23Cl2NO4/c1-15-22(25(30)32-13-12-31-17-6-3-2-4-7-17)23(18-11-10-16(26)14-19(18)27)24-20(28-15)8-5-9-21(24)29/h2-4,6-7,10-11,14,23,28H,5,8-9,12-13H2,1H3
InChIKey MNWBOCUASXAYNJ-UHFFFAOYSA-N
Mol Weight 472.37 g/mol
Molecular Formula C25H23Cl2NO4
Exact Mass 471.100414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JoXrliMqYzL
Name 2-Phenoxyethyl 4-(2,4-dichlorophenyl)-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 471.100413621 u
Formula C25H23Cl2NO4
InChI InChI=1S/C25H23Cl2NO4/c1-15-22(25(30)32-13-12-31-17-6-3-2-4-7-17)23(18-11-10-16(26)14-19(18)27)24-20(28-15)8-5-9-21(24)29/h2-4,6-7,10-11,14,23,28H,5,8-9,12-13H2,1H3
InChIKey MNWBOCUASXAYNJ-UHFFFAOYSA-N
Molecular Weight 472.368 g/mol
SMILES N1C(=C(C(C=2C(CCCC12)=O)C=1C(=CC(=CC1)Cl)Cl)C(=O)OCCOC=1C=CC=CC1)C