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methyl 4-{4-[(2-chlorophenoxy)methyl]-5-ethyl-2-thienyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID AFabo2dwYsR
InChI InChI=1S/C25H26ClNO4S/c1-4-20-15(13-31-19-11-6-5-8-16(19)26)12-21(32-20)24-22(25(29)30-3)14(2)27-17-9-7-10-18(28)23(17)24/h5-6,8,11-12,24,27H,4,7,9-10,13H2,1-3H3
InChIKey KGTIMPYQSCHGKF-UHFFFAOYSA-N
Mol Weight 472.0 g/mol
Molecular Formula C25H26ClNO4S
Exact Mass 471.127107 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ShN0sSlcMc
Name methyl 4-{4-[(2-chlorophenoxy)methyl]-5-ethyl-2-thienyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
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/C25H26ClNO4S/c1-4-20-15(13-31-19-11-6-5-8-16(19)26)12-21(32-20)24-22(25(29)30-3)14(2)27-17-9-7-10-18(28)23(17)24/h5-6,8,11-12,24,27H,4,7,9-10,13H2,1-3H3
InChIKey KGTIMPYQSCHGKF-UHFFFAOYSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_14462
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: UZI/1017168; UBI_ID: UBI-014465
Temperature 300 °C