For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-, 2-(ethylthio)ethyl ester

View entire compound with spectra: 1 NMR

3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-, 2-(ethylthio)ethyl ester
SpectraBase Compound ID CbWbzePvBv7
InChI InChI=1S/C22H27NO5S/c1-4-29-11-10-28-22(26)19-13(2)23-15-6-5-7-17(25)21(15)20(19)14-8-9-16(24)18(12-14)27-3/h8-9,12,20,23-24H,4-7,10-11H2,1-3H3
InChIKey MPKJSJSYGKVQBP-UHFFFAOYSA-N
Mol Weight 417.52 g/mol
Molecular Formula C22H27NO5S
Exact Mass 417.160994 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1VUYoHXEiii
Name 3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-, 2-(ethylthio)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 417.160994142 u
Formula C22H27NO5S
InChI InChI=1S/C22H27NO5S/c1-4-29-11-10-28-22(26)19-13(2)23-15-6-5-7-17(25)21(15)20(19)14-8-9-16(24)18(12-14)27-3/h8-9,12,20,23-24H,4-7,10-11H2,1-3H3
InChIKey MPKJSJSYGKVQBP-UHFFFAOYSA-N
Molecular Weight 417.520 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1499
Solvent DMSO-d6
Source Vendor ID: ZI/8098535; Lab Info: SAS; Lab Number: SAS-0050250
Temperature 29.85 °C