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ethanaminium, N,N-dimethyl-2-[1-oxo-4-[(5E)-4-oxo-5-(2-thienylmethylene)-2-thioxothiazolidinyl]butoxy]-, chloride
SpectraBase Compound ID IdbFHD0EaFz
InChI InChI=1S/C16H20N2O3S3.ClH/c1-17(2)8-9-21-14(19)6-3-7-18-15(20)13(24-16(18)22)11-12-5-4-10-23-12;/h4-5,10-11H,3,6-9H2,1-2H3;1H/b13-11+;
InChIKey ULFJHVUXOIMCCS-BNSHTTSQSA-N
Mol Weight 420.99 g/mol
Molecular Formula C16H21ClN2O3S3
Exact Mass 420.040284 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HDzDsBTPuWf
Name ethanaminium, N,N-dimethyl-2-[1-oxo-4-[(5E)-4-oxo-5-(2-thienylmethylene)-2-thioxothiazolidinyl]butoxy]-, chloride
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/C16H20N2O3S3.ClH/c1-17(2)8-9-21-14(19)6-3-7-18-15(20)13(24-16(18)22)11-12-5-4-10-23-12;/h4-5,10-11H,3,6-9H2,1-2H3;1H/b13-11+;
InChIKey ULFJHVUXOIMCCS-BNSHTTSQSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_8010
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/11218011