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2-ALLYL-5-BROMO-2H-THIENO-[3,4-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE
SpectraBase Compound ID 5rzUvmbF55X
InChI InChI=1S/C8H7BrN2O3S2/c1-2-3-11-8(12)10-6-5(16(11,13)14)4-15-7(6)9/h2,4H,1,3H2,(H,10,12)
InChIKey UOLHJKRYOHZEKR-UHFFFAOYSA-N
Mol Weight 323.18 g/mol
Molecular Formula C8H7BrN2O3S2
Exact Mass 321.908147 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3p3e3B4WPbn
Name 2-ALLYL-5-BROMO-2H-THIENO-[3,4-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H7BrN2O3S2
InChI InChI=1S/C8H7BrN2O3S2/c1-2-3-11-8(12)10-6-5(16(11,13)14)4-15-7(6)9/h2,4H,1,3H2,(H,10,12)
InChIKey UOLHJKRYOHZEKR-UHFFFAOYSA-N
Literature Reference Author S.VEGA,M.E.ARRANZ,V.J.ARAN
Literature Reference Citation J.HETCYCL.CHEM.,42,755(2005)
Literature Reference DOI 10.1002/jhet.5570420503
Molecular Weight 323.179 g/mol
Sample ID 61084
Solvent DMSO-D6