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Benzyl 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

View entire compound with spectra: 2 NMR

Benzyl 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID 4LacInWNBvL
InChI InChI=1S/C26H28N2O3/c1-17-23(26(30)31-16-18-8-5-4-6-9-18)24(19-12-14-20(15-13-19)28(2)3)25-21(27-17)10-7-11-22(25)29/h4-6,8-9,12-15,24,27H,7,10-11,16H2,1-3H3
InChIKey SDMMNAOPODVPPE-UHFFFAOYSA-N
Mol Weight 416.52 g/mol
Molecular Formula C26H28N2O3
Exact Mass 416.209993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DiLAAeOXai8
Name Benzyl 4-[4-(dimethylamino)phenyl]-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 416.209992767 u
Formula C26H28N2O3
InChI InChI=1S/C26H28N2O3/c1-17-23(26(30)31-16-18-8-5-4-6-9-18)24(19-12-14-20(15-13-19)28(2)3)25-21(27-17)10-7-11-22(25)29/h4-6,8-9,12-15,24,27H,7,10-11,16H2,1-3H3
InChIKey SDMMNAOPODVPPE-UHFFFAOYSA-N
Molecular Weight 416.521 g/mol
SMILES N1C2=C(C(C(=C1C)C(OCC1=CC=CC=C1)=O)C=1C=CC(N(C)C)=CC1)C(CCC2)=O