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Methyl 4-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

View entire compound with spectra: 2 NMR

Methyl 4-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID 9L6tPHZUaOt
InChI InChI=1S/C28H30ClNO5/c1-16-24(27(32)34-5)25(26-21(30-16)13-28(2,3)14-22(26)31)17-6-11-23(33-4)18(12-17)15-35-20-9-7-19(29)8-10-20/h6-12,25,30H,13-15H2,1-5H3
InChIKey QHXJTMKNODNHPK-UHFFFAOYSA-N
Mol Weight 496.0 g/mol
Molecular Formula C28H30ClNO5
Exact Mass 495.181251 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9fDdj7hdY8O
Name Methyl 4-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-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 495.181250765 u
Formula C28H30ClNO5
InChI InChI=1S/C28H30ClNO5/c1-16-24(27(32)34-5)25(26-21(30-16)13-28(2,3)14-22(26)31)17-6-11-23(33-4)18(12-17)15-35-20-9-7-19(29)8-10-20/h6-12,25,30H,13-15H2,1-5H3
InChIKey QHXJTMKNODNHPK-UHFFFAOYSA-N
Molecular Weight 496.003 g/mol
SMILES N1C(=C(C(C=2C(CC(CC12)(C)C)=O)C=1C=C(COC2=CC=C(C=C2)Cl)C(=CC1)OC)C(=O)OC)C