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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 6RxMmGSWt06
InChI InChI=1S/C17H21N7O3S/c1-21-12-14-16(20-21)28(25,26)24-11-13(27-17(24)19-14)10-22-6-8-23(9-7-22)15-4-2-3-5-18-15/h2-5,12-13H,6-11H2,1H3
InChIKey VTYRGDZTMTZCHJ-UHFFFAOYSA-N
Mol Weight 403.46 g/mol
Molecular Formula C17H21N7O3S
Exact Mass 403.142659 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GNqKaJcHjnE
Name 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 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H21N7O3S
InChI InChI=1S/C17H21N7O3S/c1-21-12-14-16(20-21)28(25,26)24-11-13(27-17(24)19-14)10-22-6-8-23(9-7-22)15-4-2-3-5-18-15/h2-5,12-13H,6-11H2,1H3
InChIKey VTYRGDZTMTZCHJ-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 403.459 g/mol
Sample ID 61120
Solvent CDCl3