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2-(PARA-CHLOROBENZYL)-7-METHYL-1,1,3-TRIOXO-2H,4H-PYRAZOLO-[4,5-E]-[1,2,4]-THIADIAZINE
SpectraBase Compound ID AotkIibZMOV
InChI InChI=1S/C12H11ClN4O3S/c1-16-11-10(6-14-16)15-12(18)17(21(11,19)20)7-8-2-4-9(13)5-3-8/h2-6H,7H2,1H3,(H,15,18)
InChIKey MHAXRBOJYVBEBP-UHFFFAOYSA-N
Mol Weight 326.76 g/mol
Molecular Formula C12H11ClN4O3S
Exact Mass 326.024039 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Iw9K9XOnZGk
Name 2-(PARA-CHLOROBENZYL)-7-METHYL-1,1,3-TRIOXO-2H,4H-PYRAZOLO-[4,5-E]-[1,2,4]-THIADIAZINE
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11ClN4O3S
InChI InChI=1S/C12H11ClN4O3S/c1-16-11-10(6-14-16)15-12(18)17(21(11,19)20)7-8-2-4-9(13)5-3-8/h2-6H,7H2,1H3,(H,15,18)
InChIKey MHAXRBOJYVBEBP-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 326.757 g/mol
Sample ID 38646
Solvent DMSO-D6