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3-(3'-CHLOROBENZYLOXY)-7-METHYL-1,1-DIOXO-4H-PYRAZOLO-[4,5-E]-[1,2,4]-THIADIAZINE
SpectraBase Compound ID IDM73sN5QxY
InChI InChI=1S/C12H11ClN4O3S/c1-17-11-10(6-14-17)15-12(16-21(11,18)19)20-7-8-3-2-4-9(13)5-8/h2-6H,7H2,1H3,(H,15,16)
InChIKey NOQDXIKPZPDPHU-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 1sxFXU0Ji1e
Name 3-(3'-CHLOROBENZYLOXY)-7-METHYL-1,1-DIOXO-4H-PYRAZOLO-[4,5-E]-[1,2,4]-THIADIAZINE
Compound Number 6'D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11ClN4O3S
InChI InChI=1S/C12H11ClN4O3S/c1-17-11-10(6-14-17)15-12(16-21(11,18)19)20-7-8-3-2-4-9(13)5-8/h2-6H,7H2,1H3,(H,15,16)
InChIKey NOQDXIKPZPDPHU-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 38651
Solvent DMSO-D6