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3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-4-[2-(phenylmethoxy)phenyl]-, 2-(ethylthio)ethyl ester
SpectraBase Compound ID 7I6Y50dsFLt
InChI InChI=1S/C28H31NO4S/c1-3-34-17-16-32-28(31)25-19(2)29-22-13-9-14-23(30)27(22)26(25)21-12-7-8-15-24(21)33-18-20-10-5-4-6-11-20/h4-8,10-12,15,26,29H,3,9,13-14,16-18H2,1-2H3
InChIKey BBLWDVJIXBQFOU-UHFFFAOYSA-N
Mol Weight 477.62 g/mol
Molecular Formula C28H31NO4S
Exact Mass 477.19738 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2lkoxcLeeL4
Name 3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-4-[2-(phenylmethoxy)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/C28H31NO4S/c1-3-34-17-16-32-28(31)25-19(2)29-22-13-9-14-23(30)27(22)26(25)21-12-7-8-15-24(21)33-18-20-10-5-4-6-11-20/h4-8,10-12,15,26,29H,3,9,13-14,16-18H2,1-2H3
InChIKey BBLWDVJIXBQFOU-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7220
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/10328614