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5-(2-PROPEN-1-YL)-2-THIOL-6-TRIFLUOROMETHYL-PYRIMIDIN-4(3H)-ONE

View entire compound with spectra: 2 NMR

5-(2-PROPEN-1-YL)-2-THIOL-6-TRIFLUOROMETHYL-PYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID BsTCfWvTNc3
InChI InChI=1S/C8H7F3N2OS/c1-2-3-4-5(8(9,10)11)12-7(15)13-6(4)14/h2H,1,3H2,(H2,12,13,14,15)
InChIKey LGSATWRWWPSVMX-UHFFFAOYSA-N
Mol Weight 236.21 g/mol
Molecular Formula C8H7F3N2OS
Exact Mass 236.023119 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GjZbYTvfcfn
Name 5-(2-PROPEN-1-YL)-2-THIOL-6-TRIFLUOROMETHYL-PYRIMIDIN-4(3H)-ONE
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H7F3N2OS
InChI InChI=1S/C8H7F3N2OS/c1-2-3-4-5(8(9,10)11)12-7(15)13-6(4)14/h2H,1,3H2,(H2,12,13,14,15)
InChIKey LGSATWRWWPSVMX-UHFFFAOYSA-N
Literature Reference Author J.DREXLER,U.GROTH
Literature Reference Citation EUR.J.ORG.CHEM.,2014,6314(2014)
Literature Reference DOI 10.1002/ejoc.201402755
Solvent DMSO-D6
Source File Reference UWIR19244