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3-BROMO-2-METHYL-6-[1-[4-(2-PYRIDYL)-PIPERAZINYL]]-METHYL-6,7-DIHYDRO-2H-OXAZOLO-[3,2-B]-PYRAZOLO-[4,3-E]-[1,2,4]-THIADIAZINE-9,9-DIOXIDE
SpectraBase Compound ID JEZtKc2sGxG
InChI InChI=1S/C17H20BrN7O3S/c1-22-15(18)14-16(21-22)29(26,27)25-11-12(28-17(25)20-14)10-23-6-8-24(9-7-23)13-4-2-3-5-19-13/h2-5,12H,6-11H2,1H3
InChIKey JAKOKQOSBYEWBW-UHFFFAOYSA-N
Mol Weight 482.36 g/mol
Molecular Formula C17H20BrN7O3S
Exact Mass 481.053172 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ejnaYFpv9g
Name 3-BROMO-2-METHYL-6-[1-[4-(2-PYRIDYL)-PIPERAZINYL]]-METHYL-6,7-DIHYDRO-2H-OXAZOLO-[3,2-B]-PYRAZOLO-[4,3-E]-[1,2,4]-THIADIAZINE-9,9-DIOXIDE
Compound Number 6C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H20BrN7O3S
InChI InChI=1S/C17H20BrN7O3S/c1-22-15(18)14-16(21-22)29(26,27)25-11-12(28-17(25)20-14)10-23-6-8-24(9-7-23)13-4-2-3-5-19-13/h2-5,12H,6-11H2,1H3
InChIKey JAKOKQOSBYEWBW-UHFFFAOYSA-N
Literature Reference Author S.VEGA,M.E.ARRANZ,V.J.ARAN
Literature Reference Citation J.HETCYCL.CHEM.,42,763(2005)
Literature Reference DOI 10.1002/jhet.5570420504
Molecular Weight 482.355 g/mol
Sample ID 61122
Solvent CDCl3