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1-[3,5-TRIFLUOROMETHYLPHENYL]-3-[5-FLUORO-5-TRIFLUOROMETHYL-1,3-THIAZOL-4(5H)-ONE-2-YL]-UREA
SpectraBase Compound ID O5lG4cMgJy
InChI InChI=1S/C13H5F10N3O2S/c14-10(13(21,22)23)7(27)25-9(29-10)26-8(28)24-6-2-4(11(15,16)17)1-5(3-6)12(18,19)20/h1-3H,(H2,24,25,26,27,28)
InChIKey CLHLTQQKEQKNBJ-UHFFFAOYSA-N
Mol Weight 457.25 g/mol
Molecular Formula C13H5F10N3O2S
Exact Mass 456.994279 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6h8PI7NBvWy
Name 1-[3,5-TRIFLUOROMETHYLPHENYL]-3-[5-FLUORO-5-TRIFLUOROMETHYL-1,3-THIAZOL-4(5H)-ONE-2-YL]-UREA
Compound Number 775
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H5F10N3O2S
InChI InChI=1S/C13H5F10N3O2S/c14-10(13(21,22)23)7(27)25-9(29-10)26-8(28)24-6-2-4(11(15,16)17)1-5(3-6)12(18,19)20/h1-3H,(H2,24,25,26,27,28)
InChIKey CLHLTQQKEQKNBJ-UHFFFAOYSA-N
Literature Reference Author W.ROBIEN
Literature Reference Citation W.ROBIEN,PRIVATE_COMMUNICATION
Solvent DMSO-D6
Source File Reference WRPR1767