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3-quinolinecarboxylic acid, 4-(2-bromophenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, 2-methylpropyl ester
SpectraBase Compound ID 3nJbED9x1bQ
InChI InChI=1S/C21H24BrNO3/c1-12(2)11-26-21(25)18-13(3)23-16-9-6-10-17(24)20(16)19(18)14-7-4-5-8-15(14)22/h4-5,7-8,12,19,23H,6,9-11H2,1-3H3
InChIKey MHDJTCFDHGYWNT-UHFFFAOYSA-N
Mol Weight 418.33 g/mol
Molecular Formula C21H24BrNO3
Exact Mass 417.093957 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DRCgm2wKWhM
Name 3-quinolinecarboxylic acid, 4-(2-bromophenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, 2-methylpropyl 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/C21H24BrNO3/c1-12(2)11-26-21(25)18-13(3)23-16-9-6-10-17(24)20(16)19(18)14-7-4-5-8-15(14)22/h4-5,7-8,12,19,23H,6,9-11H2,1-3H3
InChIKey MHDJTCFDHGYWNT-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7199
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/10328563