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

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3,5-bis(acetonylthio)-4-isothiazolecarbonitrile
SpectraBase Compound ID I6YfWtJg736
InChI InChI=1S/C10H10N2O2S3/c1-6(13)4-15-9-8(3-11)10(17-12-9)16-5-7(2)14/h4-5H2,1-2H3
InChIKey WHNUYUHLQKDZGQ-UHFFFAOYSA-N
Mol Weight 286.38 g/mol
Molecular Formula C10H10N2O2S3
Exact Mass 285.990441 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DwVARHfJ7H6
Name 3,5-BIS(ACETONYLTHIO)-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 C10H10N2O2S2
InChI InChI=1S/C10H10N2O2S3/c1-6(13)4-15-9-8(3-11)10(17-12-9)16-5-7(2)14/h4-5H2,1-2H3
InChIKey WHNUYUHLQKDZGQ-UHFFFAOYSA-N
Melting Point 98-100C
Molecular Weight 286.40
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 4-ISOTHIAZOLECARBONITRILE, 3,5-BIS- /ACETONYLTHIO/-,