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3-quinolinecarboxylic acid, 7-(4-chlorophenyl)-4-(4-fluorophenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, 1-methylethyl ester

View entire compound with spectra: 1 NMR

3-quinolinecarboxylic acid, 7-(4-chlorophenyl)-4-(4-fluorophenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, 1-methylethyl ester
SpectraBase Compound ID 1ytYDmNqXIX
InChI InChI=1S/C26H25ClFNO3/c1-14(2)32-26(31)23-15(3)29-21-12-18(16-4-8-19(27)9-5-16)13-22(30)25(21)24(23)17-6-10-20(28)11-7-17/h4-11,14,18,24,29H,12-13H2,1-3H3
InChIKey PKVHEWOVDKIYOI-UHFFFAOYSA-N
Mol Weight 453.94 g/mol
Molecular Formula C26H25ClFNO3
Exact Mass 453.1507 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BW4MVXvZMAn
Name 3-quinolinecarboxylic acid, 7-(4-chlorophenyl)-4-(4-fluorophenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, 1-methylethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 453.150699529 u
Formula C26H25ClFNO3
InChI InChI=1S/C26H25ClFNO3/c1-14(2)32-26(31)23-15(3)29-21-12-18(16-4-8-19(27)9-5-16)13-22(30)25(21)24(23)17-6-10-20(28)11-7-17/h4-11,14,18,24,29H,12-13H2,1-3H3
InChIKey PKVHEWOVDKIYOI-UHFFFAOYSA-N
Molecular Weight 453.941 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_872
Solvent DMSO-d6
Source Vendor ID: ZI/8116098; Lab Info: SAS; Lab Number: SAS-nw12333