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4-Isopropyl-3-(2-oxoethyl)-1-(pentafluorophenyl)-2-thioxoimidazol-5-one
SpectraBase Compound ID FhB7OtFZeew
InChI InChI=1S/C14H11F5N2O2S/c1-5(2)11-13(23)21(14(24)20(11)3-4-22)12-9(18)7(16)6(15)8(17)10(12)19/h4-5,11H,3H2,1-2H3
InChIKey JPLOMAMFXRQDEI-UHFFFAOYSA-N
Mol Weight 366.31 g/mol
Molecular Formula C14H11F5N2O2S
Exact Mass 366.04614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IBb8XwzdfiZ
Name 4-Isopropyl-3-(2-oxoethyl)-1-(pentafluorophenyl)-2-thioxoimidazol-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11F5N2O2S
InChI InChI=1S/C14H11F5N2O2S/c1-5(2)11-13(23)21(14(24)20(11)3-4-22)12-9(18)7(16)6(15)8(17)10(12)19/h4-5,11H,3H2,1-2H3
InChIKey JPLOMAMFXRQDEI-UHFFFAOYSA-N
Molecular Weight 366.306 g/mol
SMILES C1(N(C(C(N1CC=O)C(C)C)=O)c1c(c(F)c(c(c1F)F)F)F)=S
SPLASH splash10-002k-5195000000-4ed554d3d3c673bdb641
Source of Spectrum AT-35-3770-6
Synonyms 3-Isopropyl-3-(2-oxoethyl)-1-(pentafluorophenyl)-2-thioxoimidazol-5-one [5-isopropyl-4-oxo-3-(2,3,4,5,6-pentafluorophenyl)-2-thioxo-1-imidazolidinyl]acetaldehyde
Wiley ID 852793