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THIENO/3,4-D/ISOTHIAZOL-3/2H/-ONE, 1,1-DIOXIDE

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THIENO/3,4-D/ISOTHIAZOL-3/2H/-ONE, 1,1-DIOXIDE
SpectraBase Compound ID 5oRZChJIkFx
InChI InChI=1S/C5H3NO3S2/c7-5-3-1-10-2-4(3)11(8,9)6-5/h1-2H,(H,6,7)
InChIKey RCGMVCCNAAVDBT-UHFFFAOYSA-N
Mol Weight 189.2 g/mol
Molecular Formula C5H3NO3S2
Exact Mass 188.955435 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9zzCx19iZNg
Name THIENO[3,4-d]ISOTHIAZOL-3(2H)-ONE, 1,1-DIOXIDE
Source of Sample R. Rupprecht, W. Bremser BASF Ludwigshafen (1984)
CAS Registry Number 59337-79-0
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H3NO3S2
InChI InChI=1S/C5H3NO3S2/c7-5-3-1-10-2-4(3)11(8,9)6-5/h1-2H,(H,6,7)
InChIKey RCGMVCCNAAVDBT-UHFFFAOYSA-N
Molecular Weight 189.21
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Bruker AM-270
Synonyms THIENO/3,4-D/ISOTHIAZOL-3/2H/-ONE, 1,1-DIOXIDE