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2-BROMO-5-METHYL-7H-1,3,4-THIADIAZOLO-[3,2-A]-PYRIMIDIN-7-ONE
SpectraBase Compound ID C5cHATt4EBH
InChI InChI=1S/C6H4BrN3OS/c1-3-2-4(11)8-6-10(3)9-5(7)12-6/h2H,1H3
InChIKey GPDMBJMQXRTUMF-UHFFFAOYSA-N
Mol Weight 246.08 g/mol
Molecular Formula C6H4BrN3OS
Exact Mass 244.925846 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hjw4mJLmc1x
Name 2-BROMO-5-METHYL-7H-1,3,4-THIADIAZOLO-[3,2-A]-PYRIMIDIN-7-ONE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H4BrN3OS
InChI InChI=1S/C6H4BrN3OS/c1-3-2-4(11)8-6-10(3)9-5(7)12-6/h2H,1H3
InChIKey GPDMBJMQXRTUMF-UHFFFAOYSA-N
Literature Reference Author S.SAFAROV,M.A.KUKANIEV,H.KOLSHORN,H.MEIER
Literature Reference Citation J.HETCYCL.CHEM.,42,1105(2005)
Literature Reference DOI 10.1002/jhet.5570420611
Molecular Weight 246.081 g/mol
Sample ID 61293
Solvent CDCl3