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3-METHYLISOXAZOLO-[5.4-D]-PYRIMIDINE-4-(5-H)-THIONE
SpectraBase Compound ID FZ0CxWaxsHw
InChI InChI=1S/C6H5N3OS/c1-3-4-5(10-9-3)7-2-8-6(4)11/h2H,1H3,(H,7,8,11)
InChIKey VBBCIBYTNGQINZ-UHFFFAOYSA-N
Mol Weight 167.19 g/mol
Molecular Formula C6H5N3OS
Exact Mass 167.015333 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9piphADNjhi
Name 3-METHYLISOXAZOLO-[5.4-D]-PYRIMIDINE-4-(5-H)-THIONE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H5N3OS
InChI InChI=1S/C6H5N3OS/c1-3-4-5(10-9-3)7-2-8-6(4)11/h2H,1H3,(H,7,8,11)
InChIKey VBBCIBYTNGQINZ-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 167.185 g/mol
Solvent DMSO-D6
Source File Reference UWMZ1208