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3-THIOXOHEXAHYDROPYRROLO-[1,2-C]-IMIDAZOL-1,5-DIONE
SpectraBase Compound ID 9mfDKiv8TYf
InChI InChI=1S/C6H6N2O2S/c9-4-2-1-3-5(10)7-6(11)8(3)4/h3H,1-2H2,(H,7,10,11)
InChIKey BCIFEPDUHRNYRJ-UHFFFAOYSA-N
Mol Weight 170.19 g/mol
Molecular Formula C6H6N2O2S
Exact Mass 170.014999 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3kzfHcrEBob
Name 3-THIOXOHEXAHYDROPYRROLO-[1,2-C]-IMIDAZOL-1,5-DIONE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H6N2O2S
InChI InChI=1S/C6H6N2O2S/c9-4-2-1-3-5(10)7-6(11)8(3)4/h3H,1-2H2,(H,7,10,11)
InChIKey BCIFEPDUHRNYRJ-UHFFFAOYSA-N
Literature Reference Author B.M.DUGGAN,R.L.LASLETT,J.F.K.WILSHIRE
Literature Reference Citation AUSTR.J.CHEM.,49,541(1996)
Molecular Weight 170.186 g/mol
Solvent DMSO-D6
Source File Reference UWRK2802