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3-(2-Cyanoethyl)-4-isopropyl-1-(pentafluorophenyl)-2-thioxoimidazol-5-one
SpectraBase Compound ID IIhNBFLsvdJ
InChI InChI=1S/C15H12F5N3OS/c1-6(2)12-14(24)23(15(25)22(12)5-3-4-21)13-10(19)8(17)7(16)9(18)11(13)20/h6,12H,3,5H2,1-2H3
InChIKey IUFWFVVNSQJVNH-UHFFFAOYSA-N
Mol Weight 377.33 g/mol
Molecular Formula C15H12F5N3OS
Exact Mass 377.062124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GnHox4BHVHm
Name 3-(2-Cyanoethyl)-4-isopropyl-1-(pentafluorophenyl)-2-thioxoimidazol-5-one
Alternate Name(s) 3-[5-isopropyl-4-oxo-3-(2,3,4,5,6-pentafluorophenyl)-2-thioxo-1-imidazolidinyl]propanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H12F5N3OS
InChI InChI=1S/C15H12F5N3OS/c1-6(2)12-14(24)23(15(25)22(12)5-3-4-21)13-10(19)8(17)7(16)9(18)11(13)20/h6,12H,3,5H2,1-2H3
InChIKey IUFWFVVNSQJVNH-UHFFFAOYSA-N
Molecular Weight 377.333 g/mol
SMILES C1(N(C(C(N1CCC#N)C(C)C)=O)c1c(c(F)c(c(c1F)F)F)F)=S
SPLASH splash10-005i-1169000000-b56930124be935ab3954
Source of Spectrum AT-35-3770-4
Wiley ID 852794