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4-isothiazolecarbonitrile, 3,5-bis[[(2-chlorophenyl)methyl]thio]-
SpectraBase Compound ID Hzqd0FlUWOR
InChI InChI=1S/C18H12Cl2N2S3/c19-15-7-3-1-5-12(15)10-23-17-14(9-21)18(25-22-17)24-11-13-6-2-4-8-16(13)20/h1-8H,10-11H2
InChIKey REODECXRFOYDFP-UHFFFAOYSA-N
Mol Weight 423.39 g/mol
Molecular Formula C18H12Cl2N2S3
Exact Mass 421.953967 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JI0IQvHfp0y
Name 4-isothiazolecarbonitrile, 3,5-bis[[(2-chlorophenyl)methyl]thio]-
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/C18H12Cl2N2S3/c19-15-7-3-1-5-12(15)10-23-17-14(9-21)18(25-22-17)24-11-13-6-2-4-8-16(13)20/h1-8H,10-11H2
InChIKey REODECXRFOYDFP-UHFFFAOYSA-N
NMR Offset 16.4447
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_6580
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: TSH/5636729; IOH_ID: IOH-013584
Temperature 297 °C