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3-quinolinecarboxylic acid, 4-(5-bromo-2-thienyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, 2-(1-methylethoxy)ethyl ester

View entire compound with spectra: 1 NMR

3-quinolinecarboxylic acid, 4-(5-bromo-2-thienyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, 2-(1-methylethoxy)ethyl ester
SpectraBase Compound ID IroyRhn9KQd
InChI InChI=1S/C22H28BrNO4S/c1-12(2)27-8-9-28-21(26)18-13(3)24-14-10-22(4,5)11-15(25)19(14)20(18)16-6-7-17(23)29-16/h6-7,12,20,24H,8-11H2,1-5H3
InChIKey AIGDBNVIISQUOL-UHFFFAOYSA-N
Mol Weight 482.43 g/mol
Molecular Formula C22H28BrNO4S
Exact Mass 481.092243 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5UQ31HJRxaF
Name 3-quinolinecarboxylic acid, 4-(5-bromo-2-thienyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, 2-(1-methylethoxy)ethyl 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 481.092242556 u
Formula C22H28BrNO4S
InChI InChI=1S/C22H28BrNO4S/c1-12(2)27-8-9-28-21(26)18-13(3)24-14-10-22(4,5)11-15(25)19(14)20(18)16-6-7-17(23)29-16/h6-7,12,20,24H,8-11H2,1-5H3
InChIKey AIGDBNVIISQUOL-UHFFFAOYSA-N
Molecular Weight 482.433 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8105
Solvent DMSO-d6
Source Vendor ID: NMR/9301595; Lab Info: SAS; Lab Number: SAS-tst3053
Temperature 29.85 °C