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5,5-PENTAMETHYLENE-4,5,6,7-TETRAHYDROTHIENO-[2,3-E]-PYRIMIDIN-7-ONE
SpectraBase Compound ID 3dJNFPlpUAy
InChI InChI=1S/C11H14N2OS/c14-10-9-8(4-7-15-9)12-11(13-10)5-2-1-3-6-11/h4,7,12H,1-3,5-6H2,(H,13,14)
InChIKey WQNSCUBMSNEUOX-UHFFFAOYSA-N
Mol Weight 222.31 g/mol
Molecular Formula C11H14N2OS
Exact Mass 222.082684 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C1XBJKOqp0I
Name 5,5-PENTAMETHYLENE-4,5,6,7-TETRAHYDROTHIENO-[2,3-E]-PYRIMIDIN-7-ONE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H14N2OS
InChI InChI=1S/C11H14N2OS/c14-10-9-8(4-7-15-9)12-11(13-10)5-2-1-3-6-11/h4,7,12H,1-3,5-6H2,(H,13,14)
InChIKey WQNSCUBMSNEUOX-UHFFFAOYSA-N
Literature Reference Author L.H.KLEMM,T.J.R.WEAKLEY,R.D.GILBERTSON,Y.H.SONG
Literature Reference Citation J.HETCYCL.CHEM.,35,1269(1998)
Literature Reference DOI 10.1002/jhet.5570350605
Molecular Weight 222.305 g/mol
Solvent DMSO-D6
Source File Reference UWCS25119