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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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID CkEA1jb2SgR
Name 3,5-BIS(PHENACYLTHIO)-4-ISOTHIAZOLECARBONITRILE
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14N2O2S3
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
Molecular Weight 410.523987
Synonyms 4-ISOTHIAZOLECARBONITRILE, 3,5-BIS- /PHENACYLTHIO/-,
Technique KBr WAFER