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6-(DIFLUOROMETHYLPHENYL)-3-(4-NITROPHENYL)-2-TIOXO-2,3-DIHYDROPYRIMIDIN-4-ONE
SpectraBase Compound ID GLrEHLBkfyv
InChI InChI=1S/C17H11F2N3O3S/c18-17(19,11-4-2-1-3-5-11)14-10-15(23)21(16(26)20-14)12-6-8-13(9-7-12)22(24)25/h1-10H,(H,20,26)
InChIKey CFBJVSNRPUXUPA-UHFFFAOYSA-N
Mol Weight 375.35 g/mol
Molecular Formula C17H11F2N3O3S
Exact Mass 375.048919 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BflQG8zaHwO
Name 6-(DIFLUOROMETHYLPHENYL)-3-(4-NITROPHENYL)-2-TIOXO-2,3-DIHYDROPYRIMIDIN-4-ONE
Compound Number 5L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H11F2N3O3S
InChI InChI=1S/C17H11F2N3O3S/c18-17(19,11-4-2-1-3-5-11)14-10-15(23)21(16(26)20-14)12-6-8-13(9-7-12)22(24)25/h1-10H,(H,20,26)
InChIKey CFBJVSNRPUXUPA-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 375.349 g/mol
Sample ID 50833
Solvent CDCl3