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ethyl 4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID JFGqGM6EQV4
InChI InChI=1S/C25H26ClNO3S2/c1-4-30-25(29)22-14(2)27-19-6-5-7-20(28)23(19)24(22)21-12-16(15(3)32-21)13-31-18-10-8-17(26)9-11-18/h8-12,24,27H,4-7,13H2,1-3H3
InChIKey XKGPGYQMCZLKPW-UHFFFAOYSA-N
Mol Weight 488.06 g/mol
Molecular Formula C25H26ClNO3S2
Exact Mass 487.104264 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9W52NqzbaoG
Name ethyl 4-(4-{[(4-chlorophenyl)sulfanyl]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/C25H26ClNO3S2/c1-4-30-25(29)22-14(2)27-19-6-5-7-20(28)23(19)24(22)21-12-16(15(3)32-21)13-31-18-10-8-17(26)9-11-18/h8-12,24,27H,4-7,13H2,1-3H3
InChIKey XKGPGYQMCZLKPW-UHFFFAOYSA-N
NMR Offset 17.5268
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_14331
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/1013994; UBI_ID: UBI-014334
Temperature 300 °C