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

*Links on SpectraBase are not permalinks.

butanoic acid, 2-[[[[(2-hydroxy-4-quinolinyl)methyl](1-methylethyl)amino]carbonothioyl]amino]-4-(methylthio)-, methyl ester, (2S)-

View entire compound with spectra: 1 NMR

butanoic acid, 2-[[[[(2-hydroxy-4-quinolinyl)methyl](1-methylethyl)amino]carbonothioyl]amino]-4-(methylthio)-, methyl ester, (2S)-
SpectraBase Compound ID KpeD9AFf1Zm
InChI InChI=1S/C20H27N3O3S2/c1-13(2)23(20(27)22-17(9-10-28-4)19(25)26-3)12-14-11-18(24)21-16-8-6-5-7-15(14)16/h5-8,11,13,17H,9-10,12H2,1-4H3,(H,21,24)(H,22,27)
InChIKey BZMSSOLXUVAHBI-UHFFFAOYSA-N
Mol Weight 421.57 g/mol
Molecular Formula C20H27N3O3S2
Exact Mass 421.149384 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 HF9nvgwiVfJ
Name butanoic acid, 2-[[[[(2-hydroxy-4-quinolinyl)methyl](1-methylethyl)amino]carbonothioyl]amino]-4-(methylthio)-, methyl ester, (2S)-
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/C20H27N3O3S2/c1-13(2)23(20(27)22-17(9-10-28-4)19(25)26-3)12-14-11-18(24)21-16-8-6-5-7-15(14)16/h5-8,11,13,17H,9-10,12H2,1-4H3,(H,21,24)(H,22,27)
InChIKey BZMSSOLXUVAHBI-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_9635
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: F36055; Labnumber: NNA-V-23956