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

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Methyl 4-(3,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID LIfynFMgCFT
InChI InChI=1S/C20H21Cl2NO3/c1-10-16(19(25)26-4)17(11-5-6-12(21)13(22)7-11)18-14(23-10)8-20(2,3)9-15(18)24/h5-7,17,23H,8-9H2,1-4H3
InChIKey YVMHMCPOQPKZIN-UHFFFAOYSA-N
Mol Weight 394.3 g/mol
Molecular Formula C20H21Cl2NO3
Exact Mass 393.089849 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IQufDiVaEex
Name Methyl 4-(3,4-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 393.089848937 u
Formula C20H21Cl2NO3
InChI InChI=1S/C20H21Cl2NO3/c1-10-16(19(25)26-4)17(11-5-6-12(21)13(22)7-11)18-14(23-10)8-20(2,3)9-15(18)24/h5-7,17,23H,8-9H2,1-4H3
InChIKey YVMHMCPOQPKZIN-UHFFFAOYSA-N
Molecular Weight 394.298 g/mol
SMILES N1C(=C(C(C=2C(CC(CC12)(C)C)=O)C1=CC(Cl)=C(C=C1)Cl)C(=O)OC)C