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2-BENZYL-7-METHYL-1,1,3-TRIOXO-2H,4H-PYRAZOLO-[4,5-E]-[1,2,4]-THIADIAZINE
SpectraBase Compound ID DPQbETaUu2v
InChI InChI=1S/C12H12N4O3S/c1-15-11-10(7-13-15)14-12(17)16(20(11,18)19)8-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,14,17)
InChIKey ASRHYMDQBMRSTQ-UHFFFAOYSA-N
Mol Weight 292.31 g/mol
Molecular Formula C12H12N4O3S
Exact Mass 292.063011 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BrxpfSVzRO
Name 2-BENZYL-7-METHYL-1,1,3-TRIOXO-2H,4H-PYRAZOLO-[4,5-E]-[1,2,4]-THIADIAZINE
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12N4O3S
InChI InChI=1S/C12H12N4O3S/c1-15-11-10(7-13-15)14-12(17)16(20(11,18)19)8-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,14,17)
InChIKey ASRHYMDQBMRSTQ-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 292.312 g/mol
Sample ID 38644
Solvent CDCl3