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4-ACETYL-1-BENZYL-1,3-DIHYDRO-5-METHYL-2H-IMIDAZOLE-2-THIONE
SpectraBase Compound ID 9aL2hhibgD0
InChI InChI=1S/C13H14N2OS/c1-9-12(10(2)16)14-13(17)15(9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,14,17)
InChIKey MYKXBIYISYEYBD-UHFFFAOYSA-N
Mol Weight 246.33 g/mol
Molecular Formula C13H14N2OS
Exact Mass 246.082684 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FstwoDeYiJO
Name 4-ACETYL-1-BENZYL-1,3-DIHYDRO-5-METHYL-2H-IMIDAZOLE-2-THIONE
Compound Number 4G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14N2OS
InChI InChI=1S/C13H14N2OS/c1-9-12(10(2)16)14-13(17)15(9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,14,17)
InChIKey MYKXBIYISYEYBD-UHFFFAOYSA-N
Literature Reference Author A.PASCUAL
Literature Reference Citation HELV.CHIM.ACTA,74,531(1991)
Literature Reference DOI 10.1002/hlca.19910740309
Molecular Weight 246.327 g/mol
Solvent DMSO-D6
Source File Reference UWVP6400