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7-METHYL-1,1,3-TRIOXO-2H,4H-PYRAZOLO-[4,5-E]-[1,2,4]-THIADIAZINE
SpectraBase Compound ID 4xl2CeU6CAL
InChI InChI=1S/C5H6N4O3S/c1-9-4-3(2-6-9)7-5(10)8-13(4,11)12/h2H,1H3,(H2,7,8,10)
InChIKey TYENXINJSPJBBP-UHFFFAOYSA-N
Mol Weight 202.19 g/mol
Molecular Formula C5H6N4O3S
Exact Mass 202.016061 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6TpPhe1K6Yd
Name 7-METHYL-1,1,3-TRIOXO-2H,4H-PYRAZOLO-[4,5-E]-[1,2,4]-THIADIAZINE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C5H6N4O3S
InChI InChI=1S/C5H6N4O3S/c1-9-4-3(2-6-9)7-5(10)8-13(4,11)12/h2H,1H3,(H2,7,8,10)
InChIKey TYENXINJSPJBBP-UHFFFAOYSA-N
Literature Reference Author X.LIU,R.YAN,N.CHEN,W.XU,M.T.MOLINA,S.VEGA
Literature Reference Citation MOLECULES,11,827(2006)
Literature Reference DOI 10.3390/11110827
Molecular Weight 202.188 g/mol
Sample ID 38643
Solvent DMSO-D6