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5-ISOPROPYL-2-METHYLTHIO-6-(THIEN-2-YL-METHYL)-PYRIMIDINE-4(3H)-ONE
SpectraBase Compound ID GousgiqpYRP
InChI InChI=1S/C13H16N2OS2/c1-8(2)11-10(7-9-5-4-6-18-9)14-13(17-3)15-12(11)16/h4-6,8H,7H2,1-3H3,(H,14,15,16)
InChIKey GVADHWUYPFVBSP-UHFFFAOYSA-N
Mol Weight 280.4 g/mol
Molecular Formula C13H16N2OS2
Exact Mass 280.070405 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BUXWthZl3Ou
Name 5-ISOPROPYL-2-METHYLTHIO-6-(THIEN-2-YL-METHYL)-PYRIMIDINE-4(3H)-ONE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16N2OS2
InChI InChI=1S/C13H16N2OS2/c1-8(2)11-10(7-9-5-4-6-18-9)14-13(17-3)15-12(11)16/h4-6,8H,7H2,1-3H3,(H,14,15,16)
InChIKey GVADHWUYPFVBSP-UHFFFAOYSA-N
Literature Reference Author O.S.PEDERSEN,L.PETERSEN,M.BRANDT,C.NIELSEN,E.B.PEDERSEN
Literature Reference Citation MH.CHEM.,130,1499(1999)
Literature Reference DOI 10.1007/s007060050310
Molecular Weight 280.403 g/mol
Solvent DMSO-D6
Source File Reference UWCS25488