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

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butanoic acid, 2-[[[[(2-hydroxy-4-quinolinyl)methyl]methylamino]carbonothioyl]amino]-4-(methylthio)-, methyl ester, (2S)-
SpectraBase Compound ID 14cUeJb7bQL
InChI InChI=1S/C18H23N3O3S2/c1-21(18(25)20-15(8-9-26-3)17(23)24-2)11-12-10-16(22)19-14-7-5-4-6-13(12)14/h4-7,10,15H,8-9,11H2,1-3H3,(H,19,22)(H,20,25)
InChIKey MFSGTJYTIBAYKD-UHFFFAOYSA-N
Mol Weight 393.52 g/mol
Molecular Formula C18H23N3O3S2
Exact Mass 393.118084 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4xLDRugBS0u
Name butanoic acid, 2-[[[[(2-hydroxy-4-quinolinyl)methyl]methylamino]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/C18H23N3O3S2/c1-21(18(25)20-15(8-9-26-3)17(23)24-2)11-12-10-16(22)19-14-7-5-4-6-13(12)14/h4-7,10,15H,8-9,11H2,1-3H3,(H,19,22)(H,20,25)
InChIKey MFSGTJYTIBAYKD-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_9634
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: F36054; Labnumber: NNA-V-23940