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3-thiazolidineacetic acid, 5-[(8-ethoxy-2-quinolinyl)methylene]-alpha-[2-(methylthio)ethyl]-4-oxo-2-thioxo-, (5E)-
SpectraBase Compound ID 9MwPbZnjuJC
InChI InChI=1S/C20H20N2O4S3/c1-3-26-15-6-4-5-12-7-8-13(21-17(12)15)11-16-18(23)22(20(27)29-16)14(19(24)25)9-10-28-2/h4-8,11,14H,3,9-10H2,1-2H3,(H,24,25)/b16-11+
InChIKey HUNRZRPKVKMEOW-LFIBNONCSA-N
Mol Weight 448.57 g/mol
Molecular Formula C20H20N2O4S3
Exact Mass 448.058521 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KX535wB01g5
Name 3-thiazolidineacetic acid, 5-[(8-ethoxy-2-quinolinyl)methylene]-alpha-[2-(methylthio)ethyl]-4-oxo-2-thioxo-, (5E)-
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/C20H20N2O4S3/c1-3-26-15-6-4-5-12-7-8-13(21-17(12)15)11-16-18(23)22(20(27)29-16)14(19(24)25)9-10-28-2/h4-8,11,14H,3,9-10H2,1-2H3,(H,24,25)/b16-11+
InChIKey HUNRZRPKVKMEOW-LFIBNONCSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_9019
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: F33995; Labnumber: EXGOR1-20800