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8-BROMO-2-[1-[4-(2-PYRIMIDINYL)-PIPERAZINYL]]-METHYL-2,3-DIHYDROOXAZOLO-[3,2-B]-THIENO-[3,4-E]-[1,2,4]-THIADIAZINE-5,5-DIOXIDE

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8-BROMO-2-[1-[4-(2-PYRIMIDINYL)-PIPERAZINYL]]-METHYL-2,3-DIHYDROOXAZOLO-[3,2-B]-THIENO-[3,4-E]-[1,2,4]-THIADIAZINE-5,5-DIOXIDE
SpectraBase Compound ID B4XBFS30VQA
InChI InChI=1S/C16H17BrN6O3S2/c17-14-13-12(10-27-14)28(24,25)23-9-11(26-16(23)20-13)8-21-4-6-22(7-5-21)15-18-2-1-3-19-15/h1-3,10-11H,4-9H2
InChIKey MVWHOKNAJUFELL-UHFFFAOYSA-N
Mol Weight 485.38 g/mol
Molecular Formula C16H17BrN6O3S2
Exact Mass 483.998694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9P6TMTPmVSW
Name 8-BROMO-2-[1-[4-(2-PYRIMIDINYL)-PIPERAZINYL]]-METHYL-2,3-DIHYDROOXAZOLO-[3,2-B]-THIENO-[3,4-E]-[1,2,4]-THIADIAZINE-5,5-DIOXIDE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H17BrN6O3S2
InChI InChI=1S/C16H17BrN6O3S2/c17-14-13-12(10-27-14)28(24,25)23-9-11(26-16(23)20-13)8-21-4-6-22(7-5-21)15-18-2-1-3-19-15/h1-3,10-11H,4-9H2
InChIKey MVWHOKNAJUFELL-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 485.373 g/mol
Sample ID 61119
Solvent CDCl3