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(3E)-1-(4-CHLOROPHENYL)-3-[(4,6-DIMETHYL-2-PYRIMIDINYL)-THIO-4,4,4-TRIFLUORO-2-BUTEN-1-ONE
SpectraBase Compound ID 1G9CtNrsveh
InChI InChI=1S/C16H12ClF3N2OS/c1-9-7-10(2)22-15(21-9)24-14(16(18,19)20)8-13(23)11-3-5-12(17)6-4-11/h3-8H,1-2H3/b14-8+
InChIKey UZVOHAFXMVCCQC-RIYZIHGNSA-N
Mol Weight 372.79 g/mol
Molecular Formula C16H12ClF3N2OS
Exact Mass 372.031096 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HQO5hQJm3pt
Name (3Z)-1-(4-CHLOROPHENYL)-3-[(4,6-DIMETHYL-2-PYRIMIDINYL)-THIO-4,4,4-TRIFLUORO-2-BUTEN-1-ONE
Compound Number 3Z
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H12ClF3N2OS
InChI InChI=1S/C16H12ClF3N2OS/c1-9-7-10(2)22-15(21-9)24-14(16(18,19)20)8-13(23)11-3-5-12(17)6-4-11/h3-8H,1-2H3/b14-8+
InChIKey UZVOHAFXMVCCQC-RIYZIHGNSA-N
Literature Reference Author K.MATSUBARA,A.OBA,Y.USUI
Literature Reference Citation MAGN.RES.CHEM.,36,761(1998)
Literature Reference DOI 10.1002/(sici)1097-458x(1998100)36:10<761::aid-omr370>3.0.co;2-3
Molecular Weight 372.792 g/mol
Solvent CDCl3
Source File Reference UWCS24171