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1-BENZYL-4-(METHYLSULFANYL)-PYRIMIDINE-2(1H)-THIONE
SpectraBase Compound ID GdM1EzSwcZB
InChI InChI=1S/C12H12N2S2/c1-16-11-7-8-14(12(15)13-11)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKey NKHINJUUYGKFMP-UHFFFAOYSA-N
Mol Weight 248.36 g/mol
Molecular Formula C12H12N2S2
Exact Mass 248.044191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3FdckxtnTt6
Name 1-BENZYL-4-(METHYLSULFANYL)-PYRIMIDINE-2(1H)-THIONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12N2S2
InChI InChI=1S/C12H12N2S2/c1-16-11-7-8-14(12(15)13-11)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKey NKHINJUUYGKFMP-UHFFFAOYSA-N
Literature Reference Author A.ROBIN,K.JULIENNE,J.C.MESLIN,D.DENIAUD
Literature Reference Citation EUR.J.ORG.CHEM.,634(2006)
Molecular Weight 248.361 g/mol
Sample ID 43089
Solvent CDCl3