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3,5-bis(phenacylthio)-4-isothiazolecarbonitrile

View entire compound with spectra: 3 NMR, and 1 FTIR

3,5-bis(phenacylthio)-4-isothiazolecarbonitrile
SpectraBase Compound ID 1fJCEVIWBto
InChI InChI=1S/C20H14N2O2S3/c21-11-16-19(25-12-17(23)14-7-3-1-4-8-14)22-27-20(16)26-13-18(24)15-9-5-2-6-10-15/h1-10H,12-13H2
InChIKey STATXDQLDONJMI-UHFFFAOYSA-N
Mol Weight 410.52 g/mol
Molecular Formula C20H14N2O2S3
Exact Mass 410.021741 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A6b78oLTWsP
Name 3,5-bis[(2-oxo-2-phenylethyl)sulfanyl]-4-isothiazolecarbonitrile
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/C20H14N2O2S3/c21-11-16-19(25-12-17(23)14-7-3-1-4-8-14)22-27-20(16)26-13-18(24)15-9-5-2-6-10-15/h1-10H,12-13H2
InChIKey STATXDQLDONJMI-UHFFFAOYSA-N
NMR Offset 16.4447
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_3424
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/5636700; IOH_ID: IOH-003425
Temperature 297 °C