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ethyl 4-{4-[(4-chloro-2-methylphenoxy)methyl]-5-methyl-2-thienyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID I6t9dn8vsCx
InChI InChI=1S/C26H28ClNO4S/c1-5-31-26(30)23-15(3)28-19-7-6-8-20(29)24(19)25(23)22-12-17(16(4)33-22)13-32-21-10-9-18(27)11-14(21)2/h9-12,25,28H,5-8,13H2,1-4H3
InChIKey KBMGVPQKQXWVMV-UHFFFAOYSA-N
Mol Weight 486.03 g/mol
Molecular Formula C26H28ClNO4S
Exact Mass 485.142757 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JQtRJLsBbMH
Name ethyl 4-{4-[(4-chloro-2-methylphenoxy)methyl]-5-methyl-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/C26H28ClNO4S/c1-5-31-26(30)23-15(3)28-19-7-6-8-20(29)24(19)25(23)22-12-17(16(4)33-22)13-32-21-10-9-18(27)11-14(21)2/h9-12,25,28H,5-8,13H2,1-4H3
InChIKey KBMGVPQKQXWVMV-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11787
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/1009981; UBI_ID: UBI-011790
Temperature 308 °C