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

*Links on SpectraBase are not permalinks.

2-(ethylsulfanyl)ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

View entire compound with spectra: 1 NMR

2-(ethylsulfanyl)ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID D2P0dsx3ITd
InChI InChI=1S/C28H29BrClNO5S/c1-4-37-10-9-36-28(34)24-15(2)31-21-12-17(16-5-7-19(30)8-6-16)13-22(32)26(21)25(24)18-11-20(29)27(33)23(14-18)35-3/h5-8,11,14,17,25,31,33H,4,9-10,12-13H2,1-3H3
InChIKey KUGJLGNERNTKLS-UHFFFAOYSA-N
Mol Weight 606.96 g/mol
Molecular Formula C28H29BrClNO5S
Exact Mass 605.063835 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 Gle2KHyJ6D3
Name 2-(ethylsulfanyl)ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C28H29BrClNO5S/c1-4-37-10-9-36-28(34)24-15(2)31-21-12-17(16-5-7-19(30)8-6-16)13-22(32)26(21)25(24)18-11-20(29)27(33)23(14-18)35-3/h5-8,11,14,17,25,31,33H,4,9-10,12-13H2,1-3H3
InChIKey KUGJLGNERNTKLS-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18200
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/9120573; UBI_ID: UBI-018203
Temperature 318 °C