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

View entire compound with spectra: 2 NMR

2-Methoxyethyl 4-(3,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID IsAmnjdEta7
InChI InChI=1S/C22H25Cl2NO4/c1-12-18(21(27)29-8-7-28-4)19(13-5-6-14(23)15(24)9-13)20-16(25-12)10-22(2,3)11-17(20)26/h5-6,9,19,25H,7-8,10-11H2,1-4H3
InChIKey BXGTYUOHBCXACL-UHFFFAOYSA-N
Mol Weight 438.35 g/mol
Molecular Formula C22H25Cl2NO4
Exact Mass 437.116064 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HDs6emXDIUN
Name 2-Methoxyethyl 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 437.116063685 u
Formula C22H25Cl2NO4
InChI InChI=1S/C22H25Cl2NO4/c1-12-18(21(27)29-8-7-28-4)19(13-5-6-14(23)15(24)9-13)20-16(25-12)10-22(2,3)11-17(20)26/h5-6,9,19,25H,7-8,10-11H2,1-4H3
InChIKey BXGTYUOHBCXACL-UHFFFAOYSA-N
Molecular Weight 438.351 g/mol
SMILES N1C(=C(C(C=2C(CC(CC12)(C)C)=O)C1=CC(Cl)=C(C=C1)Cl)C(=O)OCCOC)C