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

View entire compound with spectra: 2 NMR

Butyl 2-methyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID 4mQJ8SNRP7l
InChI InChI=1S/C22H27NO3/c1-4-5-13-26-22(25)19-15(3)23-17-7-6-8-18(24)21(17)20(19)16-11-9-14(2)10-12-16/h9-12,20,23H,4-8,13H2,1-3H3
InChIKey BUIKTQMNMSUBPR-UHFFFAOYSA-N
Mol Weight 353.46 g/mol
Molecular Formula C22H27NO3
Exact Mass 353.199094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8k6BRgi6396
Name Butyl 2-methyl-4-(4-methylphenyl)-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 353.199093730 u
Formula C22H27NO3
InChI InChI=1S/C22H27NO3/c1-4-5-13-26-22(25)19-15(3)23-17-7-6-8-18(24)21(17)20(19)16-11-9-14(2)10-12-16/h9-12,20,23H,4-8,13H2,1-3H3
InChIKey BUIKTQMNMSUBPR-UHFFFAOYSA-N
Molecular Weight 353.462 g/mol
SMILES N1C2=C(C(C(=C1C)C(=O)OCCCC)C1=CC=C(C)C=C1)C(CCC2)=O