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5,5-HEXAMETHYLENE-4,5,6,7-TETRAHYDROTHIENO-[2,3-E]-PYRIMIDIN-7-ONE
SpectraBase Compound ID EYj4pLo0rDh
InChI InChI=1S/C12H16N2OS/c15-11-10-9(5-8-16-10)13-12(14-11)6-3-1-2-4-7-12/h5,8,13H,1-4,6-7H2,(H,14,15)
InChIKey NXIMGKGJRUWIEI-UHFFFAOYSA-N
Mol Weight 236.33 g/mol
Molecular Formula C12H16N2OS
Exact Mass 236.098334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GNc5dEN2PfR
Name 5,5-HEXAMETHYLENE-4,5,6,7-TETRAHYDROTHIENO-[2,3-E]-PYRIMIDIN-7-ONE
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16N2OS
InChI InChI=1S/C12H16N2OS/c15-11-10-9(5-8-16-10)13-12(14-11)6-3-1-2-4-7-12/h5,8,13H,1-4,6-7H2,(H,14,15)
InChIKey NXIMGKGJRUWIEI-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 236.332 g/mol
Solvent DMSO-D6
Source File Reference UWCS25120