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

View entire compound with spectra: 1 NMR

methyl 4-{5-[(4-chlorophenoxy)methyl]-2,4-dimethylphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID 3bTTLgfgNoe
InChI InChI=1S/C29H32ClNO4/c1-16-11-17(2)22(12-19(16)15-35-21-9-7-20(30)8-10-21)26-25(28(33)34-6)18(3)31-23-13-29(4,5)14-24(32)27(23)26/h7-12,26,31H,13-15H2,1-6H3
InChIKey ZKFWXLKOSJCQTO-UHFFFAOYSA-N
Mol Weight 494.0 g/mol
Molecular Formula C29H32ClNO4
Exact Mass 493.201986 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Eofaa46R7m2
Name methyl 4-{5-[(4-chlorophenoxy)methyl]-2,4-dimethylphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C29H32ClNO4/c1-16-11-17(2)22(12-19(16)15-35-21-9-7-20(30)8-10-21)26-25(28(33)34-6)18(3)31-23-13-29(4,5)14-24(32)27(23)26/h7-12,26,31H,13-15H2,1-6H3
InChIKey ZKFWXLKOSJCQTO-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10906
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 1003660; UBI_ID: UBI-010909
Temperature 308 °C