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

View entire compound with spectra: 2 NMR

Ethyl 4-(4-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID CGg45GHygi3
InChI InChI=1S/C21H24BrNO3/c1-5-26-20(25)17-12(2)23-15-10-21(3,4)11-16(24)19(15)18(17)13-6-8-14(22)9-7-13/h6-9,18,23H,5,10-11H2,1-4H3
InChIKey WOXHNBDGNUVWNG-UHFFFAOYSA-N
Mol Weight 418.33 g/mol
Molecular Formula C21H24BrNO3
Exact Mass 417.093957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AZ5UT0AtuNL
Name Ethyl 4-(4-bromophenyl)-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 417.093956634 u
Formula C21H24BrNO3
InChI InChI=1S/C21H24BrNO3/c1-5-26-20(25)17-12(2)23-15-10-21(3,4)11-16(24)19(15)18(17)13-6-8-14(22)9-7-13/h6-9,18,23H,5,10-11H2,1-4H3
InChIKey WOXHNBDGNUVWNG-UHFFFAOYSA-N
Molecular Weight 418.331 g/mol
SMILES N1C2=C(C(C(=C1C)C(=O)OCC)C1=CC=C(C=C1)Br)C(CC(C2)(C)C)=O