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methyl 4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

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methyl 4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID Lab8LCdWRQf
InChI InChI=1S/C26H28ClNO3S2/c1-14-22(25(30)31-5)24(23-19(28-14)11-26(3,4)12-20(23)29)21-10-16(15(2)33-21)13-32-18-8-6-17(27)7-9-18/h6-10,24,28H,11-13H2,1-5H3
InChIKey STQBYUIZASCOSA-UHFFFAOYSA-N
Mol Weight 502.09 g/mol
Molecular Formula C26H28ClNO3S2
Exact Mass 501.119914 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FyqBxYClwDo
Name methyl 4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-2,7,7-trimethyl-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/C26H28ClNO3S2/c1-14-22(25(30)31-5)24(23-19(28-14)11-26(3,4)12-20(23)29)21-10-16(15(2)33-21)13-32-18-8-6-17(27)7-9-18/h6-10,24,28H,11-13H2,1-5H3
InChIKey STQBYUIZASCOSA-UHFFFAOYSA-N
NMR Offset 17.5268
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_14486
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/1017796; UBI_ID: UBI-014489
Temperature 300 °C