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3,6-DIMETHYLISOXAZOLO-[5.4-D]-PYRIMIDINE-4-(5-H)-THIONE
SpectraBase Compound ID LYTSbnynbb
InChI InChI=1S/C7H7N3OS/c1-3-5-6(11-10-3)8-4(2)9-7(5)12/h1-2H3,(H,8,9,12)
InChIKey JWOOSBOEKDLPJP-UHFFFAOYSA-N
Mol Weight 181.21 g/mol
Molecular Formula C7H7N3OS
Exact Mass 181.030983 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6wd0uifwXMH
Name 3,6-DIMETHYLISOXAZOLO-[5.4-D]-PYRIMIDINE-4-(5-H)-THIONE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H7N3OS
InChI InChI=1S/C7H7N3OS/c1-3-5-6(11-10-3)8-4(2)9-7(5)12/h1-2H3,(H,8,9,12)
InChIKey JWOOSBOEKDLPJP-UHFFFAOYSA-N
Literature Reference Author C.B.VICENTINI,A.C.VERONESE,T.POLI,M.GUARNERI,P.GIORI,V.FERRE TTI
Literature Reference Citation J.HETCYCL.CHEM.,27,1481(1990)
Literature Reference DOI 10.1002/jhet.5570270555
Molecular Weight 181.212 g/mol
Solvent DMSO-D6
Source File Reference UWMZ1209