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

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3-quinolinecarboxylic acid, 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1,4,5,6,7,8-hexahydro-7-(4-methoxyphenyl)-2-methyl-5-oxo-, ethyl ester
SpectraBase Compound ID IE70wYSkJYb
InChI InChI=1S/C27H28BrNO6/c1-5-35-27(32)23-14(2)29-20-11-16(15-6-8-18(33-3)9-7-15)12-21(30)25(20)24(23)17-10-19(28)26(31)22(13-17)34-4/h6-10,13,16,24,29,31H,5,11-12H2,1-4H3
InChIKey IGNYOIWVTNDFDY-UHFFFAOYSA-N
Mol Weight 542.43 g/mol
Molecular Formula C27H28BrNO6
Exact Mass 541.110001 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KXt1jqSVszJ
Name 3-quinolinecarboxylic acid, 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1,4,5,6,7,8-hexahydro-7-(4-methoxyphenyl)-2-methyl-5-oxo-, ethyl ester
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C27H28BrNO6/c1-5-35-27(32)23-14(2)29-20-11-16(15-6-8-18(33-3)9-7-15)12-21(30)25(20)24(23)17-10-19(28)26(31)22(13-17)34-4/h6-10,13,16,24,29,31H,5,11-12H2,1-4H3
InChIKey IGNYOIWVTNDFDY-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_337
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/11258039