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

*Links on SpectraBase are not permalinks.
3-quinolinecarboxylic acid, 4-(3-bromophenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, 2-(ethylthio)ethyl ester
SpectraBase Compound ID 4aaE1lcsMl2
InChI InChI=1S/C21H24BrNO3S/c1-3-27-11-10-26-21(25)18-13(2)23-16-8-5-9-17(24)20(16)19(18)14-6-4-7-15(22)12-14/h4,6-7,12,19,23H,3,5,8-11H2,1-2H3
InChIKey MSCWTCQWEMSIPH-UHFFFAOYSA-N
Mol Weight 450.39 g/mol
Molecular Formula C21H24BrNO3S
Exact Mass 449.066028 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 FeQrEZ2RnEt
Name 3-quinolinecarboxylic acid, 4-(3-bromophenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, 2-(ethylthio)ethyl ester
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/C21H24BrNO3S/c1-3-27-11-10-26-21(25)18-13(2)23-16-8-5-9-17(24)20(16)19(18)14-6-4-7-15(22)12-14/h4,6-7,12,19,23H,3,5,8-11H2,1-2H3
InChIKey MSCWTCQWEMSIPH-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_436
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: NMR/11258209