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3-quinolinecarboxylic acid, 4-(4-bromophenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, 2-(ethylthio)ethyl ester
SpectraBase Compound ID FWx9RlUJqSS
InChI InChI=1S/C21H24BrNO3S/c1-3-27-12-11-26-21(25)18-13(2)23-16-5-4-6-17(24)20(16)19(18)14-7-9-15(22)10-8-14/h7-10,19,23H,3-6,11-12H2,1-2H3
InChIKey WGUQXBFDKCRWSU-UHFFFAOYSA-N
Mol Weight 450.39 g/mol
Molecular Formula C21H24BrNO3S
Exact Mass 449.066028 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HGaEKe16nkt
Name 3-quinolinecarboxylic acid, 4-(4-bromophenyl)-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/C21H24BrNO3S/c1-3-27-12-11-26-21(25)18-13(2)23-16-5-4-6-17(24)20(16)19(18)14-7-9-15(22)10-8-14/h7-10,19,23H,3-6,11-12H2,1-2H3
InChIKey WGUQXBFDKCRWSU-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_351
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/11258059