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3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-4-(3-phenoxyphenyl)-, 2-(ethylthio)ethyl ester
SpectraBase Compound ID LFzS91UPuVG
InChI InChI=1S/C27H29NO4S/c1-3-33-16-15-31-27(30)24-18(2)28-22-13-8-14-23(29)26(22)25(24)19-9-7-12-21(17-19)32-20-10-5-4-6-11-20/h4-7,9-12,17,25,28H,3,8,13-16H2,1-2H3
InChIKey VGMAXINGOJPORV-UHFFFAOYSA-N
Mol Weight 463.59 g/mol
Molecular Formula C27H29NO4S
Exact Mass 463.18173 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 721yWuj2coP
Name 3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-4-(3-phenoxyphenyl)-, 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/C27H29NO4S/c1-3-33-16-15-31-27(30)24-18(2)28-22-13-8-14-23(29)26(22)25(24)19-9-7-12-21(17-19)32-20-10-5-4-6-11-20/h4-7,9-12,17,25,28H,3,8,13-16H2,1-2H3
InChIKey VGMAXINGOJPORV-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7209
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/10328595