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4-Isothiazolecarbonitrile, 3,5-bis(methylthio)-
SpectraBase Compound ID 4rAiITZiVqz
InChI InChI=1S/C6H6N2S3/c1-9-5-4(3-7)6(10-2)11-8-5/h1-2H3
InChIKey BDBFZCOZJOTIFS-UHFFFAOYSA-N
Mol Weight 202.31 g/mol
Molecular Formula C6H6N2S3
Exact Mass 201.969312 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5TqtI6SMPIf
Name 4-isothiazolecarbonitrile, 3,5-bis(methylthio)-
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/C6H6N2S3/c1-9-5-4(3-7)6(10-2)11-8-5/h1-2H3
InChIKey BDBFZCOZJOTIFS-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_4062
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: ZI/5101926; Labnumber: L-12/0001390; IOH_ID: IOH-011065