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5-ISOPROPYL-2-MERCAPTOTHIENO-[2,3-D]-PYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID LhRzQGkwAYf
InChI InChI=1S/C9H10N2OS2/c1-4(2)5-3-14-8-6(5)7(12)10-9(13)11-8/h3-4H,1-2H3,(H2,10,11,12,13)
InChIKey KCZVBHIBXIICHA-UHFFFAOYSA-N
Mol Weight 226.31 g/mol
Molecular Formula C9H10N2OS2
Exact Mass 226.023455 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fp6HJfQAwAH
Name 5-ISOPROPYL-2-MERCAPTOTHIENO-[2,3-D]-PYRIMIDIN-4(3H)-ONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H10N2OS2
InChI InChI=1S/C9H10N2OS2/c1-4(2)5-3-14-8-6(5)7(12)10-9(13)11-8/h3-4H,1-2H3,(H2,10,11,12,13)
InChIKey KCZVBHIBXIICHA-UHFFFAOYSA-N
Literature Reference Author A.A.HAMED,I.F.ZEID,H.H.EL-GANZORY,M.T.A.AAL
Literature Reference Citation MH.CHEM.,139,809(2008)
Literature Reference DOI 10.1007/s00706-007-0823-y
Molecular Weight 226.311 g/mol
Sample ID 39824
Solvent DMSO-D6