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3-quinolinecarboxylic acid, 4-(3-chlorophenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, 2-(ethylthio)ethyl ester
SpectraBase Compound ID JCVX6vszvRq
InChI InChI=1S/C21H24ClNO3S/c1-3-27-11-10-26-21(25)18-13(2)23-16-8-5-9-17(24)20(16)19(18)14-6-4-7-15(22)12-14/h4,6-7,12,19,23H,3,5,8-11H2,1-2H3
InChIKey PLMPOXTZTXYWJL-UHFFFAOYSA-N
Mol Weight 405.94 g/mol
Molecular Formula C21H24ClNO3S
Exact Mass 405.116543 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4dOWQOTeHe3
Name 3-quinolinecarboxylic acid, 4-(3-chlorophenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, 2-(ethylthio)ethyl ester
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/C21H24ClNO3S/c1-3-27-11-10-26-21(25)18-13(2)23-16-8-5-9-17(24)20(16)19(18)14-6-4-7-15(22)12-14/h4,6-7,12,19,23H,3,5,8-11H2,1-2H3
InChIKey PLMPOXTZTXYWJL-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_376
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: NMR/11258101