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6-(DIFLUOROMETHYLPHENYL)-3-(4-METHYLPHENYL)-2-TIOXO-2,3-DIHYDROPYRIMIDIN-4-ONE
SpectraBase Compound ID 3L1kna8MJnZ
InChI InChI=1S/C18H14F2N2OS/c1-12-7-9-14(10-8-12)22-16(23)11-15(21-17(22)24)18(19,20)13-5-3-2-4-6-13/h2-11H,1H3,(H,21,24)
InChIKey NSRGZFFSJWYAHL-UHFFFAOYSA-N
Mol Weight 344.38 g/mol
Molecular Formula C18H14F2N2OS
Exact Mass 344.079491 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I9lENVIkX53
Name 6-(DIFLUOROMETHYLPHENYL)-3-(4-METHYLPHENYL)-2-TIOXO-2,3-DIHYDROPYRIMIDIN-4-ONE
Compound Number 5K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H14F2N2OS
InChI InChI=1S/C18H14F2N2OS/c1-12-7-9-14(10-8-12)22-16(23)11-15(21-17(22)24)18(19,20)13-5-3-2-4-6-13/h2-11H,1H3,(H,21,24)
InChIKey NSRGZFFSJWYAHL-UHFFFAOYSA-N
Literature Reference Author S.FUSTERO,J.PIERA,J.F.SANZ-CERVERA,S.CATALAN,C.R.D.ARELLANO
Literature Reference Citation ORG.LETTERS,6,1417(2004)
Literature Reference DOI 10.1021/ol049668z
Molecular Weight 344.379 g/mol
Sample ID 50832
Solvent CDCl3