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3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-4-(4-methylphenyl)-5-oxo-7-phenyl-, 2-(ethylthio)ethyl ester
SpectraBase Compound ID 98yiblyiM4K
InChI InChI=1S/C28H31NO3S/c1-4-33-15-14-32-28(31)25-19(3)29-23-16-22(20-8-6-5-7-9-20)17-24(30)27(23)26(25)21-12-10-18(2)11-13-21/h5-13,22,26,29H,4,14-17H2,1-3H3
InChIKey CXLBAKWDCNLGON-UHFFFAOYSA-N
Mol Weight 461.62 g/mol
Molecular Formula C28H31NO3S
Exact Mass 461.202465 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B3byXKF7n1P
Name 3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-4-(4-methylphenyl)-5-oxo-7-phenyl-, 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/C28H31NO3S/c1-4-33-15-14-32-28(31)25-19(3)29-23-16-22(20-8-6-5-7-9-20)17-24(30)27(23)26(25)21-12-10-18(2)11-13-21/h5-13,22,26,29H,4,14-17H2,1-3H3
InChIKey CXLBAKWDCNLGON-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7227
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/10328627