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

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2-(METHYLTHIOL)-5-(2-PROPEN-1-YL)-6-TRIFLUOROMETHYL-PYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID KxkVh2jYKVz
InChI InChI=1S/C9H9F3N2OS/c1-3-4-5-6(9(10,11)12)13-8(16-2)14-7(5)15/h3H,1,4H2,2H3,(H,13,14,15)
InChIKey PFCYNZCQUYHNKG-UHFFFAOYSA-N
Mol Weight 250.24 g/mol
Molecular Formula C9H9F3N2OS
Exact Mass 250.038769 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KV4mHmK3Ors
Name 2-(METHYLTHIOL)-5-(2-PROPEN-1-YL)-6-TRIFLUOROMETHYL-PYRIMIDIN-4(3H)-ONE
Compound Number 9C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H9F3N2OS
InChI InChI=1S/C9H9F3N2OS/c1-3-4-5-6(9(10,11)12)13-8(16-2)14-7(5)15/h3H,1,4H2,2H3,(H,13,14,15)
InChIKey PFCYNZCQUYHNKG-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 CDCl3
Source File Reference UWIR19245