For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

methyl 4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID 84wxt88GTpI
InChI InChI=1S/C29H32ClNO3S/c1-16-11-17(2)22(12-19(16)15-35-21-9-7-20(30)8-10-21)26-25(28(33)34-6)18(3)31-23-13-29(4,5)14-24(32)27(23)26/h7-12,26,31H,13-15H2,1-6H3
InChIKey GOJRQIRWITVBAS-UHFFFAOYSA-N
Mol Weight 510.1 g/mol
Molecular Formula C29H32ClNO3S
Exact Mass 509.179143 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FTWzWRjjcYJ
Name methyl 4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-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/C29H32ClNO3S/c1-16-11-17(2)22(12-19(16)15-35-21-9-7-20(30)8-10-21)26-25(28(33)34-6)18(3)31-23-13-29(4,5)14-24(32)27(23)26/h7-12,26,31H,13-15H2,1-6H3
InChIKey GOJRQIRWITVBAS-UHFFFAOYSA-N
NMR Offset 17.5268
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_14337
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/1014202; UBI_ID: UBI-014340
Temperature 300 °C